N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-(2-oxopyrrolidin-1-yl)propanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2-pyridin-3-ylacetamide;(2S)-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-(2-oxopyrrolidin-1-yl)propanamide;molecular hydrogen

C83H126FN9O5 — CID 158917387

IUPACN-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-(2-oxopyrrolidin-1-yl)propanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2-pyridin-3-ylacetamide;(2S)-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-(2-oxopyrrolidin-1-yl)propanamide;molecular hydrogen
SMILESCC(C)(C)CCN1CCC2(CC[C@H](NC(=O)CCN3CCCC3=O)c3ccc(F)cc32)CC1.CCN(C(=O)Cc1cccnc1)[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.C[C@@H](C(=O)N[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21)N1CCCC1=O.[H][H].[H][H]
InChIInChI=1S/C29H41N3O.C27H40FN3O2.C27H41N3O2.2H2/c1-5-32(27(33)21-23-9-8-17-30-22-23)26-12-13-29(25-11-7-6-10-24(25)26)15-19-31(20-16-29)18-14-28(2,3)4;1-26(2,3)11-16-30-17-12-27(13-18-30)10-8-23(21-7-6-20(28)19-22(21)27)29-24(32)9-15-31-14-4-5-25(31)33;1-20(30-16-7-10-24(30)31)25(32)28-23-11-12-27(22-9-6-5-8-21(22)23)14-18-29(19-15-27)17-13-26(2,3)4;;/h6-11,17,22,26H,5,12-16,18-21H2,1-4H3;6-7,19,23H,4-5,8-18H2,1-3H3,(H,29,32);5-6,8-9,20,23H,7,10-19H2,1-4H3,(H,28,32);2*1H/t26-;23-;20-,23-;;/m000../s1
InChIKeyJHJZZWQPFFAQLY-DXCSVIFSSA-N
MW1348.98 g/mol
LogP15.25
Rot. Bonds17

About N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-(2-oxopyrrolidin-1-yl)propanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2-pyridin-3-ylacetamide;(2S)-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-(2-oxopyrrolidin-1-yl)propanamide;molecular hydrogen

N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-(2-oxopyrrolidin-1-yl)propanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2-pyridin-3-ylacetamide;(2S)-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-(2-oxopyrrolidin-1-yl)propanamide;molecular hydrogen (PubChem CID 158917387) has the molecular formula C83H126FN9O5 and a molecular weight of 1348.98 g/mol. Its IUPAC name is N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-(2-oxopyrrolidin-1-yl)propanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2-pyridin-3-ylacetamide;(2S)-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-(2-oxopyrrolidin-1-yl)propanamide;molecular hydrogen.

Molecular Properties

Compound NameN-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-(2-oxopyrrolidin-1-yl)propanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2-pyridin-3-ylacetamide;(2S)-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-(2-oxopyrrolidin-1-yl)propanamide;molecular hydrogen
PubChem CID158917387
Molecular FormulaC83H126FN9O5
Molecular Weight1348.98 g/mol
Exact Mass1347.99
IUPAC NameN-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-(2-oxopyrrolidin-1-yl)propanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2-pyridin-3-ylacetamide;(2S)-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-(2-oxopyrrolidin-1-yl)propanamide;molecular hydrogen
SMILESCC(C)(C)CCN1CCC2(CC[C@H](NC(=O)CCN3CCCC3=O)c3ccc(F)cc32)CC1.CCN(C(=O)Cc1cccnc1)[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.C[C@@H](C(=O)N[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21)N1CCCC1=O.[H][H].[H][H]
InChIInChI=1S/C29H41N3O.C27H40FN3O2.C27H41N3O2.2H2/c1-5-32(27(33)21-23-9-8-17-30-22-23)26-12-13-29(25-11-7-6-10-24(25)26)15-19-31(20-16-29)18-14-28(2,3)4;1-26(2,3)11-16-30-17-12-27(13-18-30)10-8-23(21-7-6-20(28)19-22(21)27)29-24(32)9-15-31-14-4-5-25(31)33;1-20(30-16-7-10-24(30)31)25(32)28-23-11-12-27(22-9-6-5-8-21(22)23)14-18-29(19-15-27)17-13-26(2,3)4;;/h6-11,17,22,26H,5,12-16,18-21H2,1-4H3;6-7,19,23H,4-5,8-18H2,1-3H3,(H,29,32);5-6,8-9,20,23H,7,10-19H2,1-4H3,(H,28,32);2*1H/t26-;23-;20-,23-;;/m000../s1
InChIKeyJHJZZWQPFFAQLY-DXCSVIFSSA-N
XLogP15.25
TPSA141.74 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001348.98
LogP ≤ 515.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-(2-oxopyrrolidin-1-yl)propanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2-pyridin-3-ylacetamide;(2S)-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-(2-oxopyrrolidin-1-yl)propanamide;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-(2-oxopyrrolidin-1-yl)propanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2-pyridin-3-ylacetamide;(2S)-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-(2-oxopyrrolidin-1-yl)propanamide;molecular hydrogen?
The IUPAC name of N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-(2-oxopyrrolidin-1-yl)propanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2-pyridin-3-ylacetamide;(2S)-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-(2-oxopyrrolidin-1-yl)propanamide;molecular hydrogen (CID 158917387) is N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-(2-oxopyrrolidin-1-yl)propanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2-pyridin-3-ylacetamide;(2S)-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-(2-oxopyrrolidin-1-yl)propanamide;molecular hydrogen.
What is the SMILES notation for N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-(2-oxopyrrolidin-1-yl)propanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2-pyridin-3-ylacetamide;(2S)-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-(2-oxopyrrolidin-1-yl)propanamide;molecular hydrogen?
The canonical SMILES for N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-(2-oxopyrrolidin-1-yl)propanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2-pyridin-3-ylacetamide;(2S)-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-(2-oxopyrrolidin-1-yl)propanamide;molecular hydrogen is CC(C)(C)CCN1CCC2(CC[C@H](NC(=O)CCN3CCCC3=O)c3ccc(F)cc32)CC1.CCN(C(=O)Cc1cccnc1)[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.C[C@@H](C(=O)N[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21)N1CCCC1=O.[H][H].[H][H].
What is the InChIKey of N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-(2-oxopyrrolidin-1-yl)propanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2-pyridin-3-ylacetamide;(2S)-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-(2-oxopyrrolidin-1-yl)propanamide;molecular hydrogen?
The InChIKey is JHJZZWQPFFAQLY-DXCSVIFSSA-N. The full InChI is InChI=1S/C29H41N3O.C27H40FN3O2.C27H41N3O2.2H2/c1-5-32(27(33)21-23-9-8-17-30-22-23)26-12-13-29(25-11-7-6-10-24(25)26)15-19-31(20-16-29)18-14-28(2,3)4;1-26(2,3)11-16-30-17-12-27(13-18-30)10-8-23(21-7-6-20(28)19-22(21)27)29-24(32)9-15-31-14-4-5-25(31)33;1-20(30-16-7-10-24(30)31)25(32)28-23-11-12-27(22-9-6-5-8-21(22)23)14-18-29(19-15-27)17-13-26(2,3)4;;/h6-11,17,22,26H,5,12-16,18-21H2,1-4H3;6-7,19,23H,4-5,8-18H2,1-3H3,(H,29,32);5-6,8-9,20,23H,7,10-19H2,1-4H3,(H,28,32);2*1H/t26-;23-;20-,23-;;/m000../s1.
What are the key properties of N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-(2-oxopyrrolidin-1-yl)propanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2-pyridin-3-ylacetamide;(2S)-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-(2-oxopyrrolidin-1-yl)propanamide;molecular hydrogen?
N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-(2-oxopyrrolidin-1-yl)propanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2-pyridin-3-ylacetamide;(2S)-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-(2-oxopyrrolidin-1-yl)propanamide;molecular hydrogen has a molecular weight of 1348.98 g/mol, XLogP of 15.25, 17 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-(2-oxopyrrolidin-1-yl)propanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2-pyridin-3-ylacetamide;(2S)-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-(2-oxopyrrolidin-1-yl)propanamide;molecular hydrogen is sourced from PubChem (CID 158917387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).