(3R)-1-[1-(4-methylphenyl)cyclohexanecarbonyl]-3-pyridin-2-ylpiperidine-3-carboxamide

C25H31N3O2 — CID 124953704

IUPAC(3R)-1-[1-(4-methylphenyl)cyclohexanecarbonyl]-3-pyridin-2-ylpiperidine-3-carboxamide
SMILESCc1ccc(C2(C(=O)N3CCC[C@](C(N)=O)(c4ccccn4)C3)CCCCC2)cc1
InChIInChI=1S/C25H31N3O2/c1-19-9-11-20(12-10-19)24(13-4-2-5-14-24)23(30)28-17-7-15-25(18-28,22(26)29)21-8-3-6-16-27-21/h3,6,8-12,16H,2,4-5,7,13-15,17-18H2,1H3,(H2,26,29)/t25-/m1/s1
InChIKeyDWZQAFMABLOYNJ-RUZDIDTESA-N
MW405.54 g/mol
LogP3.64
Rot. Bonds4

About (3R)-1-[1-(4-methylphenyl)cyclohexanecarbonyl]-3-pyridin-2-ylpiperidine-3-carboxamide

(3R)-1-[1-(4-methylphenyl)cyclohexanecarbonyl]-3-pyridin-2-ylpiperidine-3-carboxamide (PubChem CID 124953704) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is (3R)-1-[1-(4-methylphenyl)cyclohexanecarbonyl]-3-pyridin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[1-(4-methylphenyl)cyclohexanecarbonyl]-3-pyridin-2-ylpiperidine-3-carboxamide
PubChem CID124953704
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name(3R)-1-[1-(4-methylphenyl)cyclohexanecarbonyl]-3-pyridin-2-ylpiperidine-3-carboxamide
SMILESCc1ccc(C2(C(=O)N3CCC[C@](C(N)=O)(c4ccccn4)C3)CCCCC2)cc1
InChIInChI=1S/C25H31N3O2/c1-19-9-11-20(12-10-19)24(13-4-2-5-14-24)23(30)28-17-7-15-25(18-28,22(26)29)21-8-3-6-16-27-21/h3,6,8-12,16H,2,4-5,7,13-15,17-18H2,1H3,(H2,26,29)/t25-/m1/s1
InChIKeyDWZQAFMABLOYNJ-RUZDIDTESA-N
XLogP3.64
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[1-(2-fluorophenyl)cyclopentanecarbonyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 125023854
(3S)-1-[4-(3,5-dimethylphenyl)oxane-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124950671
[1-(4-methylphenyl)cyclobutyl]-piperidin-1-ylmethanone
CID 146883856
(3R)-1-[4-(3,5-dimethylphenyl)oxane-4-carbonyl]-N,N-dimethyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124966660
(3S)-1-[2-oxo-2-(2,2,4,6-tetramethylquinolin-1-yl)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124985214
1-[4-(3-fluorophenyl)oxane-4-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110148571
1-[2-[(1,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110152705
(3R)-1-(1-benzoyl-4-methylpiperidine-4-carbonyl)-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124999862
(3R)-1-[2-oxo-2-(2,2,4-trimethylquinolin-1-yl)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 125001818
(3S)-1-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124986533
3-pyridin-2-yl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 110149670
1-pyridin-2-ylcyclohexane-1-carbohydrazide
CID 116844535

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[1-(4-methylphenyl)cyclohexanecarbonyl]-3-pyridin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[1-(4-methylphenyl)cyclohexanecarbonyl]-3-pyridin-2-ylpiperidine-3-carboxamide (CID 124953704) is (3R)-1-[1-(4-methylphenyl)cyclohexanecarbonyl]-3-pyridin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[1-(4-methylphenyl)cyclohexanecarbonyl]-3-pyridin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[1-(4-methylphenyl)cyclohexanecarbonyl]-3-pyridin-2-ylpiperidine-3-carboxamide is Cc1ccc(C2(C(=O)N3CCC[C@](C(N)=O)(c4ccccn4)C3)CCCCC2)cc1.
What is the InChIKey of (3R)-1-[1-(4-methylphenyl)cyclohexanecarbonyl]-3-pyridin-2-ylpiperidine-3-carboxamide?
The InChIKey is DWZQAFMABLOYNJ-RUZDIDTESA-N. The full InChI is InChI=1S/C25H31N3O2/c1-19-9-11-20(12-10-19)24(13-4-2-5-14-24)23(30)28-17-7-15-25(18-28,22(26)29)21-8-3-6-16-27-21/h3,6,8-12,16H,2,4-5,7,13-15,17-18H2,1H3,(H2,26,29)/t25-/m1/s1.
What are the key properties of (3R)-1-[1-(4-methylphenyl)cyclohexanecarbonyl]-3-pyridin-2-ylpiperidine-3-carboxamide?
(3R)-1-[1-(4-methylphenyl)cyclohexanecarbonyl]-3-pyridin-2-ylpiperidine-3-carboxamide has a molecular weight of 405.54 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[1-(4-methylphenyl)cyclohexanecarbonyl]-3-pyridin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 124953704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).