2-(6-methoxy-3-pyridinyl)-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)ethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-(5-methyl-2-pyridinyl)ethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-(6-methyl-3-pyridinyl)ethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-pyridin-2-ylethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-pyridin-3-ylethanone

C83H126N10O6 — CID 159270455

IUPAC2-(6-methoxy-3-pyridinyl)-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)ethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-(5-methyl-2-pyridinyl)ethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-(6-methyl-3-pyridinyl)ethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-pyridin-2-ylethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-pyridin-3-ylethanone
SMILESCC(C)N1CCC(C)(C(=O)Cc2ccccn2)CC1.CC(C)N1CCC(C)(C(=O)Cc2cccnc2)CC1.COc1ccc(CC(=O)C2(C)CCN(C(C)C)CC2)cn1.Cc1ccc(CC(=O)C2(C)CCN(C(C)C)CC2)cn1.Cc1ccc(CC(=O)C2(C)CCN(C(C)C)CC2)nc1
InChIInChI=1S/C17H26N2O2.2C17H26N2O.2C16H24N2O/c1-13(2)19-9-7-17(3,8-10-19)15(20)11-14-5-6-16(21-4)18-12-14;1-13(2)19-9-7-17(4,8-10-19)16(20)11-15-6-5-14(3)18-12-15;1-13(2)19-9-7-17(4,8-10-19)16(20)11-15-6-5-14(3)12-18-15;1-13(2)18-9-6-16(3,7-10-18)15(19)11-14-5-4-8-17-12-14;1-13(2)18-10-7-16(3,8-11-18)15(19)12-14-6-4-5-9-17-14/h5-6,12-13H,7-11H2,1-4H3;2*5-6,12-13H,7-11H2,1-4H3;4-5,8,12-13H,6-7,9-11H2,1-3H3;4-6,9,13H,7-8,10-12H2,1-3H3
InChIKeyKXQMNROEDKTLJC-UHFFFAOYSA-N
MW1359.98 g/mol
LogP14.14
Rot. Bonds21

About 2-(6-methoxy-3-pyridinyl)-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)ethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-(5-methyl-2-pyridinyl)ethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-(6-methyl-3-pyridinyl)ethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-pyridin-2-ylethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-pyridin-3-ylethanone

2-(6-methoxy-3-pyridinyl)-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)ethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-(5-methyl-2-pyridinyl)ethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-(6-methyl-3-pyridinyl)ethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-pyridin-2-ylethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-pyridin-3-ylethanone (PubChem CID 159270455) has the molecular formula C83H126N10O6 and a molecular weight of 1359.98 g/mol. Its IUPAC name is 2-(6-methoxy-3-pyridinyl)-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)ethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-(5-methyl-2-pyridinyl)ethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-(6-methyl-3-pyridinyl)ethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-pyridin-2-ylethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name2-(6-methoxy-3-pyridinyl)-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)ethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-(5-methyl-2-pyridinyl)ethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-(6-methyl-3-pyridinyl)ethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-pyridin-2-ylethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-pyridin-3-ylethanone
PubChem CID159270455
Molecular FormulaC83H126N10O6
Molecular Weight1359.98 g/mol
Exact Mass1358.99
IUPAC Name2-(6-methoxy-3-pyridinyl)-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)ethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-(5-methyl-2-pyridinyl)ethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-(6-methyl-3-pyridinyl)ethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-pyridin-2-ylethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-pyridin-3-ylethanone
SMILESCC(C)N1CCC(C)(C(=O)Cc2ccccn2)CC1.CC(C)N1CCC(C)(C(=O)Cc2cccnc2)CC1.COc1ccc(CC(=O)C2(C)CCN(C(C)C)CC2)cn1.Cc1ccc(CC(=O)C2(C)CCN(C(C)C)CC2)cn1.Cc1ccc(CC(=O)C2(C)CCN(C(C)C)CC2)nc1
InChIInChI=1S/C17H26N2O2.2C17H26N2O.2C16H24N2O/c1-13(2)19-9-7-17(3,8-10-19)15(20)11-14-5-6-16(21-4)18-12-14;1-13(2)19-9-7-17(4,8-10-19)16(20)11-15-6-5-14(3)18-12-15;1-13(2)19-9-7-17(4,8-10-19)16(20)11-15-6-5-14(3)12-18-15;1-13(2)18-9-6-16(3,7-10-18)15(19)11-14-5-4-8-17-12-14;1-13(2)18-10-7-16(3,8-11-18)15(19)12-14-6-4-5-9-17-14/h5-6,12-13H,7-11H2,1-4H3;2*5-6,12-13H,7-11H2,1-4H3;4-5,8,12-13H,6-7,9-11H2,1-3H3;4-6,9,13H,7-8,10-12H2,1-3H3
InChIKeyKXQMNROEDKTLJC-UHFFFAOYSA-N
XLogP14.14
TPSA175.23 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds21
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001359.98
LogP ≤ 514.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 2-(6-methoxy-3-pyridinyl)-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)ethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-(5-methyl-2-pyridinyl)ethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-(6-methyl-3-pyridinyl)ethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-pyridin-2-ylethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-pyridin-3-ylethanone with MolForge

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Launch Full Analysis

Related Compounds

1-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]propan-2-one
CID 147512301
1-amino-1-pyridin-3-ylpropan-2-one;5-ethyl-2-fluoropyridine;3-ethyl-5-methylpyridine;3-ethyl-5-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;3-ethyl-2-(trifluoromethyl)pyridine;(2-fluoro-3-pyridinyl)methanamine;methane;(2-methoxy-3-pyridinyl)methanamine;(6-methoxy-3-pyridinyl)methanamine;(4-methylphenyl)methanamine;(2-methyl-3-pyridinyl)methanamine;1-phenylethanamine;2-phenylethanamine;(2-propan-2-yl-3-pyridinyl)methanamine;(1R)-1-pyridin-2-ylethanamine;(1S)-1-pyridin-2-ylethanamine;2-pyridin-2-ylethanamine;pyridin-2-ylmethanamine;pyridin-3-ylmethanamine
CID 158454710
1-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-[3-(2-fluoro-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]propan-2-one
CID 158621455
2-tert-butyl-N,N-dimethylpyridine-4-carboxamide;2-tert-butyl-6-methoxypyridine;tetrakis(2-tert-butyl-4-methylpyridine);2-tert-butyl-5-methylpyridine;6-tert-butylpyridine-2-carbonitrile;6-tert-butylpyridine-3-carbonitrile;bis(1-(2-tert-butyl-4-pyridinyl)ethanone);1-(6-tert-butyl-3-pyridinyl)ethanone;1-(2-tert-butyl-4-pyridinyl)pentan-1-one;1-(2-tert-butyl-4-pyridinyl)propan-1-one;1-(6-tert-butyl-3-pyridinyl)propan-1-one;2-tert-butyl-3-(trifluoromethyl)pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine
CID 160133667
1-Amino-1-pyridin-3-ylpropan-2-one;5-ethyl-2-fluoropyridine;3-ethyl-5-methylpyridine;3-ethyl-5-propan-2-ylpyridine;5-ethyl-2-propan-2-ylpyridine;3-ethyl-2-(trifluoromethyl)pyridine;(2-fluoro-3-pyridinyl)methanamine;methane;(2-methoxy-3-pyridinyl)methanamine;(6-methoxy-3-pyridinyl)methanamine;(2-methyl-3-pyridinyl)methanamine;1-phenylethanamine;2-phenylethanamine;(2-propan-2-yl-3-pyridinyl)methanamine;1-pyridin-2-ylethanamine;2-pyridin-2-ylethanamine;pyridin-2-ylmethanamine;pyridin-3-ylmethanamine
CID 161429652
bis((3R)-1-(6-methoxy-3-pyridinyl)-3-[4-[4-(trifluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one);bis((3S)-1-(6-methoxy-3-pyridinyl)-3-[4-[4-(trifluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one)
CID 162179986
2,2-Dimethylpropylbenzene;3-(2,2-dimethylpropyl)-5-(1-fluoroethyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-fluoropyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;3-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-methylpyridine;pentakis(3-(2,2-dimethylpropyl)-5-methylpyridine);bis(5-(2,2-dimethylpropyl)-2-methylpyridine);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine
CID 167535923
2,2-Dimethylpropylbenzene;3-(2,2-dimethylpropyl)-5-(1-fluoroethyl)pyridine;3-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-fluoropyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;3-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-methylpyridine;pentakis(3-(2,2-dimethylpropyl)-5-methylpyridine);bis(5-(2,2-dimethylpropyl)-2-methylpyridine);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine
CID 167668400
4'-(4-Butoxyphenyl)-4,2';6',4''-terpyridine
CID 139195352
Bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);4-methyl-2-(4-methyl-2-pyridinyl)pyridine;osmium
CID 15678351
4-Methoxy-2-(4-methoxy-2-pyridinyl)pyridine;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);osmium
CID 15678352
1-[1-(6-Methoxy-2-pyridinyl)cyclopentyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]propan-2-one
CID 58267149

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-3-pyridinyl)-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)ethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-(5-methyl-2-pyridinyl)ethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-(6-methyl-3-pyridinyl)ethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-pyridin-2-ylethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-pyridin-3-ylethanone?
The IUPAC name of 2-(6-methoxy-3-pyridinyl)-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)ethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-(5-methyl-2-pyridinyl)ethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-(6-methyl-3-pyridinyl)ethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-pyridin-2-ylethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-pyridin-3-ylethanone (CID 159270455) is 2-(6-methoxy-3-pyridinyl)-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)ethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-(5-methyl-2-pyridinyl)ethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-(6-methyl-3-pyridinyl)ethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-pyridin-2-ylethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-pyridin-3-ylethanone.
What is the SMILES notation for 2-(6-methoxy-3-pyridinyl)-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)ethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-(5-methyl-2-pyridinyl)ethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-(6-methyl-3-pyridinyl)ethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-pyridin-2-ylethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-pyridin-3-ylethanone?
The canonical SMILES for 2-(6-methoxy-3-pyridinyl)-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)ethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-(5-methyl-2-pyridinyl)ethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-(6-methyl-3-pyridinyl)ethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-pyridin-2-ylethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-pyridin-3-ylethanone is CC(C)N1CCC(C)(C(=O)Cc2ccccn2)CC1.CC(C)N1CCC(C)(C(=O)Cc2cccnc2)CC1.COc1ccc(CC(=O)C2(C)CCN(C(C)C)CC2)cn1.Cc1ccc(CC(=O)C2(C)CCN(C(C)C)CC2)cn1.Cc1ccc(CC(=O)C2(C)CCN(C(C)C)CC2)nc1.
What is the InChIKey of 2-(6-methoxy-3-pyridinyl)-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)ethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-(5-methyl-2-pyridinyl)ethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-(6-methyl-3-pyridinyl)ethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-pyridin-2-ylethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-pyridin-3-ylethanone?
The InChIKey is KXQMNROEDKTLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2.2C17H26N2O.2C16H24N2O/c1-13(2)19-9-7-17(3,8-10-19)15(20)11-14-5-6-16(21-4)18-12-14;1-13(2)19-9-7-17(4,8-10-19)16(20)11-15-6-5-14(3)18-12-15;1-13(2)19-9-7-17(4,8-10-19)16(20)11-15-6-5-14(3)12-18-15;1-13(2)18-9-6-16(3,7-10-18)15(19)11-14-5-4-8-17-12-14;1-13(2)18-10-7-16(3,8-11-18)15(19)12-14-6-4-5-9-17-14/h5-6,12-13H,7-11H2,1-4H3;2*5-6,12-13H,7-11H2,1-4H3;4-5,8,12-13H,6-7,9-11H2,1-3H3;4-6,9,13H,7-8,10-12H2,1-3H3.
What are the key properties of 2-(6-methoxy-3-pyridinyl)-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)ethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-(5-methyl-2-pyridinyl)ethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-(6-methyl-3-pyridinyl)ethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-pyridin-2-ylethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-pyridin-3-ylethanone?
2-(6-methoxy-3-pyridinyl)-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)ethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-(5-methyl-2-pyridinyl)ethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-(6-methyl-3-pyridinyl)ethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-pyridin-2-ylethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-pyridin-3-ylethanone has a molecular weight of 1359.98 g/mol, XLogP of 14.14, 21 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-3-pyridinyl)-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)ethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-(5-methyl-2-pyridinyl)ethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-(6-methyl-3-pyridinyl)ethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-pyridin-2-ylethanone;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-pyridin-3-ylethanone is sourced from PubChem (CID 159270455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).