N-cyclohexyl-N,6-dimethyl-2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide

C24H33N3OS — CID 46044896

IUPACN-cyclohexyl-N,6-dimethyl-2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(C)C2CCCCC2)c(C2CCN(Cc3cccs3)CC2)n1
InChIInChI=1S/C24H33N3OS/c1-18-10-11-22(24(28)26(2)20-7-4-3-5-8-20)23(25-18)19-12-14-27(15-13-19)17-21-9-6-16-29-21/h6,9-11,16,19-20H,3-5,7-8,12-15,17H2,1-2H3
InChIKeyCOGSAFUMYQWQDX-UHFFFAOYSA-N
MW411.62 g/mol
LogP5.24
Rot. Bonds5

About N-cyclohexyl-N,6-dimethyl-2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide

N-cyclohexyl-N,6-dimethyl-2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 46044896) has the molecular formula C24H33N3OS and a molecular weight of 411.62 g/mol. Its IUPAC name is N-cyclohexyl-N,6-dimethyl-2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N,6-dimethyl-2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID46044896
Molecular FormulaC24H33N3OS
Molecular Weight411.62 g/mol
Exact Mass411.23
IUPAC NameN-cyclohexyl-N,6-dimethyl-2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(C)C2CCCCC2)c(C2CCN(Cc3cccs3)CC2)n1
InChIInChI=1S/C24H33N3OS/c1-18-10-11-22(24(28)26(2)20-7-4-3-5-8-20)23(25-18)19-12-14-27(15-13-19)17-21-9-6-16-29-21/h6,9-11,16,19-20H,3-5,7-8,12-15,17H2,1-2H3
InChIKeyCOGSAFUMYQWQDX-UHFFFAOYSA-N
XLogP5.24
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.62
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-cyclohexyl-N,6-dimethylpyridine-3-carboxamide
CID 42868312
N-[(4-fluorophenyl)methyl]-6-methyl-2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 46044834
2-methyl-6-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyrazine
CID 125019406
N-cyclohexyl-2-[1-(furan-2-ylmethyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 42852151
N-(cyclohexylmethyl)-2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 46069178
6-methyl-N-(2-thiophen-2-ylethyl)-2-[1-(3-thiophen-2-ylprop-2-enoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 3804895
N-(cyclohexylmethyl)-6-methyl-2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 46044852
[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-6-methyl-3-pyridinyl]methanone
CID 92998769
N-cyclohexyl-N-methyl-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 43928927
2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 3402659
6-methyl-2-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]piperidin-4-yl]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 74225797
2-[1-(3-bromobenzoyl)piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 42868055

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N,6-dimethyl-2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-cyclohexyl-N,6-dimethyl-2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide (CID 46044896) is N-cyclohexyl-N,6-dimethyl-2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-N,6-dimethyl-2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-N,6-dimethyl-2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide is Cc1ccc(C(=O)N(C)C2CCCCC2)c(C2CCN(Cc3cccs3)CC2)n1.
What is the InChIKey of N-cyclohexyl-N,6-dimethyl-2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is COGSAFUMYQWQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3OS/c1-18-10-11-22(24(28)26(2)20-7-4-3-5-8-20)23(25-18)19-12-14-27(15-13-19)17-21-9-6-16-29-21/h6,9-11,16,19-20H,3-5,7-8,12-15,17H2,1-2H3.
What are the key properties of N-cyclohexyl-N,6-dimethyl-2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide?
N-cyclohexyl-N,6-dimethyl-2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 411.62 g/mol, XLogP of 5.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N,6-dimethyl-2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 46044896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).