2-[6-[(3R,4R)-1-cyclobutyl-4-(2-methylpropyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4S)-1-cyclobutyl-4-(2-methylpropyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4R)-1-cyclobutyl-4-propan-2-ylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3R,4S)-1-cyclobutyl-4-propylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4R)-1-cyclobutyl-4-propylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4S)-1-cyclobutyl-4-propylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile

C158H196N12O12 — CID 160722757

IUPAC2-[6-[(3R,4R)-1-cyclobutyl-4-(2-methylpropyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4S)-1-cyclobutyl-4-(2-methylpropyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4R)-1-cyclobutyl-4-propan-2-ylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3R,4S)-1-cyclobutyl-4-propylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4R)-1-cyclobutyl-4-propylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4S)-1-cyclobutyl-4-propylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile
SMILESCCC[C@@H]1CCN(C2CCC2)C[C@H]1C(=O)c1ccc2c(CC#N)c(OC)ccc2c1.CCC[C@H]1CCN(C2CCC2)C[C@@H]1C(=O)c1ccc2c(CC#N)c(OC)ccc2c1.CCC[C@H]1CCN(C2CCC2)C[C@H]1C(=O)c1ccc2c(CC#N)c(OC)ccc2c1.COc1ccc2cc(C(=O)[C@@H]3CN(C4CCC4)CC[C@@H]3C(C)C)ccc2c1CC#N.COc1ccc2cc(C(=O)[C@@H]3CN(C4CCC4)CC[C@@H]3CC(C)C)ccc2c1CC#N.COc1ccc2cc(C(=O)[C@H]3CN(C4CCC4)CC[C@H]3CC(C)C)ccc2c1CC#N
InChIInChI=1S/2C27H34N2O2.4C26H32N2O2/c2*1-18(2)15-20-12-14-29(22-5-4-6-22)17-25(20)27(30)21-7-9-23-19(16-21)8-10-26(31-3)24(23)11-13-28;1-17(2)21-12-14-28(20-5-4-6-20)16-24(21)26(29)19-7-9-22-18(15-19)8-10-25(30-3)23(22)11-13-27;3*1-3-5-18-13-15-28(21-6-4-7-21)17-24(18)26(29)20-8-10-22-19(16-20)9-11-25(30-2)23(22)12-14-27/h2*7-10,16,18,20,22,25H,4-6,11-12,14-15,17H2,1-3H3;7-10,15,17,20-21,24H,4-6,11-12,14,16H2,1-3H3;3*8-11,16,18,21,24H,3-7,12-13,15,17H2,1-2H3/t2*20-,25-;21-,24-;18-,24+;2*18-,24-/m101010/s1
InChIKeyRTHWBMKEHBMBRT-BIGXJZMUSA-N
MW2455.38 g/mol
LogP32.68
Rot. Bonds41

About 2-[6-[(3R,4R)-1-cyclobutyl-4-(2-methylpropyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4S)-1-cyclobutyl-4-(2-methylpropyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4R)-1-cyclobutyl-4-propan-2-ylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3R,4S)-1-cyclobutyl-4-propylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4R)-1-cyclobutyl-4-propylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4S)-1-cyclobutyl-4-propylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile

2-[6-[(3R,4R)-1-cyclobutyl-4-(2-methylpropyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4S)-1-cyclobutyl-4-(2-methylpropyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4R)-1-cyclobutyl-4-propan-2-ylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3R,4S)-1-cyclobutyl-4-propylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4R)-1-cyclobutyl-4-propylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4S)-1-cyclobutyl-4-propylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile (PubChem CID 160722757) has the molecular formula C158H196N12O12 and a molecular weight of 2455.38 g/mol. Its IUPAC name is 2-[6-[(3R,4R)-1-cyclobutyl-4-(2-methylpropyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4S)-1-cyclobutyl-4-(2-methylpropyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4R)-1-cyclobutyl-4-propan-2-ylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3R,4S)-1-cyclobutyl-4-propylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4R)-1-cyclobutyl-4-propylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4S)-1-cyclobutyl-4-propylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[6-[(3R,4R)-1-cyclobutyl-4-(2-methylpropyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4S)-1-cyclobutyl-4-(2-methylpropyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4R)-1-cyclobutyl-4-propan-2-ylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3R,4S)-1-cyclobutyl-4-propylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4R)-1-cyclobutyl-4-propylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4S)-1-cyclobutyl-4-propylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile
PubChem CID160722757
Molecular FormulaC158H196N12O12
Molecular Weight2455.38 g/mol
Exact Mass2453.51
IUPAC Name2-[6-[(3R,4R)-1-cyclobutyl-4-(2-methylpropyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4S)-1-cyclobutyl-4-(2-methylpropyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4R)-1-cyclobutyl-4-propan-2-ylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3R,4S)-1-cyclobutyl-4-propylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4R)-1-cyclobutyl-4-propylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4S)-1-cyclobutyl-4-propylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile
SMILESCCC[C@@H]1CCN(C2CCC2)C[C@H]1C(=O)c1ccc2c(CC#N)c(OC)ccc2c1.CCC[C@H]1CCN(C2CCC2)C[C@@H]1C(=O)c1ccc2c(CC#N)c(OC)ccc2c1.CCC[C@H]1CCN(C2CCC2)C[C@H]1C(=O)c1ccc2c(CC#N)c(OC)ccc2c1.COc1ccc2cc(C(=O)[C@@H]3CN(C4CCC4)CC[C@@H]3C(C)C)ccc2c1CC#N.COc1ccc2cc(C(=O)[C@@H]3CN(C4CCC4)CC[C@@H]3CC(C)C)ccc2c1CC#N.COc1ccc2cc(C(=O)[C@H]3CN(C4CCC4)CC[C@H]3CC(C)C)ccc2c1CC#N
InChIInChI=1S/2C27H34N2O2.4C26H32N2O2/c2*1-18(2)15-20-12-14-29(22-5-4-6-22)17-25(20)27(30)21-7-9-23-19(16-21)8-10-26(31-3)24(23)11-13-28;1-17(2)21-12-14-28(20-5-4-6-20)16-24(21)26(29)19-7-9-22-18(15-19)8-10-25(30-3)23(22)11-13-27;3*1-3-5-18-13-15-28(21-6-4-7-21)17-24(18)26(29)20-8-10-22-19(16-20)9-11-25(30-2)23(22)12-14-27/h2*7-10,16,18,20,22,25H,4-6,11-12,14-15,17H2,1-3H3;7-10,15,17,20-21,24H,4-6,11-12,14,16H2,1-3H3;3*8-11,16,18,21,24H,3-7,12-13,15,17H2,1-2H3/t2*20-,25-;21-,24-;18-,24+;2*18-,24-/m101010/s1
InChIKeyRTHWBMKEHBMBRT-BIGXJZMUSA-N
XLogP32.68
TPSA319.98 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds41
Heavy Atoms182
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002455.38
LogP ≤ 532.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 2-[6-[(3R,4R)-1-cyclobutyl-4-(2-methylpropyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4S)-1-cyclobutyl-4-(2-methylpropyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4R)-1-cyclobutyl-4-propan-2-ylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3R,4S)-1-cyclobutyl-4-propylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4R)-1-cyclobutyl-4-propylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4S)-1-cyclobutyl-4-propylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[(3R,4R)-1-cyclobutyl-4-(2-methylpropyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4S)-1-cyclobutyl-4-(2-methylpropyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4R)-1-cyclobutyl-4-propan-2-ylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3R,4S)-1-cyclobutyl-4-propylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4R)-1-cyclobutyl-4-propylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4S)-1-cyclobutyl-4-propylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile?
The IUPAC name of 2-[6-[(3R,4R)-1-cyclobutyl-4-(2-methylpropyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4S)-1-cyclobutyl-4-(2-methylpropyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4R)-1-cyclobutyl-4-propan-2-ylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3R,4S)-1-cyclobutyl-4-propylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4R)-1-cyclobutyl-4-propylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4S)-1-cyclobutyl-4-propylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile (CID 160722757) is 2-[6-[(3R,4R)-1-cyclobutyl-4-(2-methylpropyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4S)-1-cyclobutyl-4-(2-methylpropyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4R)-1-cyclobutyl-4-propan-2-ylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3R,4S)-1-cyclobutyl-4-propylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4R)-1-cyclobutyl-4-propylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4S)-1-cyclobutyl-4-propylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile.
What is the SMILES notation for 2-[6-[(3R,4R)-1-cyclobutyl-4-(2-methylpropyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4S)-1-cyclobutyl-4-(2-methylpropyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4R)-1-cyclobutyl-4-propan-2-ylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3R,4S)-1-cyclobutyl-4-propylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4R)-1-cyclobutyl-4-propylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4S)-1-cyclobutyl-4-propylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile?
The canonical SMILES for 2-[6-[(3R,4R)-1-cyclobutyl-4-(2-methylpropyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4S)-1-cyclobutyl-4-(2-methylpropyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4R)-1-cyclobutyl-4-propan-2-ylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3R,4S)-1-cyclobutyl-4-propylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4R)-1-cyclobutyl-4-propylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4S)-1-cyclobutyl-4-propylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile is CCC[C@@H]1CCN(C2CCC2)C[C@H]1C(=O)c1ccc2c(CC#N)c(OC)ccc2c1.CCC[C@H]1CCN(C2CCC2)C[C@@H]1C(=O)c1ccc2c(CC#N)c(OC)ccc2c1.CCC[C@H]1CCN(C2CCC2)C[C@H]1C(=O)c1ccc2c(CC#N)c(OC)ccc2c1.COc1ccc2cc(C(=O)[C@@H]3CN(C4CCC4)CC[C@@H]3C(C)C)ccc2c1CC#N.COc1ccc2cc(C(=O)[C@@H]3CN(C4CCC4)CC[C@@H]3CC(C)C)ccc2c1CC#N.COc1ccc2cc(C(=O)[C@H]3CN(C4CCC4)CC[C@H]3CC(C)C)ccc2c1CC#N.
What is the InChIKey of 2-[6-[(3R,4R)-1-cyclobutyl-4-(2-methylpropyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4S)-1-cyclobutyl-4-(2-methylpropyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4R)-1-cyclobutyl-4-propan-2-ylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3R,4S)-1-cyclobutyl-4-propylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4R)-1-cyclobutyl-4-propylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4S)-1-cyclobutyl-4-propylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile?
The InChIKey is RTHWBMKEHBMBRT-BIGXJZMUSA-N. The full InChI is InChI=1S/2C27H34N2O2.4C26H32N2O2/c2*1-18(2)15-20-12-14-29(22-5-4-6-22)17-25(20)27(30)21-7-9-23-19(16-21)8-10-26(31-3)24(23)11-13-28;1-17(2)21-12-14-28(20-5-4-6-20)16-24(21)26(29)19-7-9-22-18(15-19)8-10-25(30-3)23(22)11-13-27;3*1-3-5-18-13-15-28(21-6-4-7-21)17-24(18)26(29)20-8-10-22-19(16-20)9-11-25(30-2)23(22)12-14-27/h2*7-10,16,18,20,22,25H,4-6,11-12,14-15,17H2,1-3H3;7-10,15,17,20-21,24H,4-6,11-12,14,16H2,1-3H3;3*8-11,16,18,21,24H,3-7,12-13,15,17H2,1-2H3/t2*20-,25-;21-,24-;18-,24+;2*18-,24-/m101010/s1.
What are the key properties of 2-[6-[(3R,4R)-1-cyclobutyl-4-(2-methylpropyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4S)-1-cyclobutyl-4-(2-methylpropyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4R)-1-cyclobutyl-4-propan-2-ylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3R,4S)-1-cyclobutyl-4-propylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4R)-1-cyclobutyl-4-propylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4S)-1-cyclobutyl-4-propylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile?
2-[6-[(3R,4R)-1-cyclobutyl-4-(2-methylpropyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4S)-1-cyclobutyl-4-(2-methylpropyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4R)-1-cyclobutyl-4-propan-2-ylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3R,4S)-1-cyclobutyl-4-propylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4R)-1-cyclobutyl-4-propylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4S)-1-cyclobutyl-4-propylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile has a molecular weight of 2455.38 g/mol, XLogP of 32.68, 41 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(3R,4R)-1-cyclobutyl-4-(2-methylpropyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4S)-1-cyclobutyl-4-(2-methylpropyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4R)-1-cyclobutyl-4-propan-2-ylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3R,4S)-1-cyclobutyl-4-propylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4R)-1-cyclobutyl-4-propylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4S)-1-cyclobutyl-4-propylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile is sourced from PubChem (CID 160722757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).