N-(3-tert-butylphenyl)-1-(5-chloro-3-methylpyridine-2-carbonyl)-2-phenylpiperidine-3-carboxamide

C29H32ClN3O2 — CID 46830995

IUPACN-(3-tert-butylphenyl)-1-(5-chloro-3-methylpyridine-2-carbonyl)-2-phenylpiperidine-3-carboxamide
SMILESCc1cc(Cl)cnc1C(=O)N1CCCC(C(=O)Nc2cccc(C(C)(C)C)c2)C1c1ccccc1
InChIInChI=1S/C29H32ClN3O2/c1-19-16-22(30)18-31-25(19)28(35)33-15-9-14-24(26(33)20-10-6-5-7-11-20)27(34)32-23-13-8-12-21(17-23)29(2,3)4/h5-8,10-13,16-18,24,26H,9,14-15H2,1-4H3,(H,32,34)
InChIKeyMMLNXQQWORNAPC-UHFFFAOYSA-N
MW490.05 g/mol
LogP6.57
Rot. Bonds4

About N-(3-tert-butylphenyl)-1-(5-chloro-3-methylpyridine-2-carbonyl)-2-phenylpiperidine-3-carboxamide

N-(3-tert-butylphenyl)-1-(5-chloro-3-methylpyridine-2-carbonyl)-2-phenylpiperidine-3-carboxamide (PubChem CID 46830995) has the molecular formula C29H32ClN3O2 and a molecular weight of 490.05 g/mol. Its IUPAC name is N-(3-tert-butylphenyl)-1-(5-chloro-3-methylpyridine-2-carbonyl)-2-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-tert-butylphenyl)-1-(5-chloro-3-methylpyridine-2-carbonyl)-2-phenylpiperidine-3-carboxamide
PubChem CID46830995
Molecular FormulaC29H32ClN3O2
Molecular Weight490.05 g/mol
Exact Mass489.22
IUPAC NameN-(3-tert-butylphenyl)-1-(5-chloro-3-methylpyridine-2-carbonyl)-2-phenylpiperidine-3-carboxamide
SMILESCc1cc(Cl)cnc1C(=O)N1CCCC(C(=O)Nc2cccc(C(C)(C)C)c2)C1c1ccccc1
InChIInChI=1S/C29H32ClN3O2/c1-19-16-22(30)18-31-25(19)28(35)33-15-9-14-24(26(33)20-10-6-5-7-11-20)27(34)32-23-13-8-12-21(17-23)29(2,3)4/h5-8,10-13,16-18,24,26H,9,14-15H2,1-4H3,(H,32,34)
InChIKeyMMLNXQQWORNAPC-UHFFFAOYSA-N
XLogP6.57
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.05
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(3-tert-butylphenyl)-1-(2-methylbenzoyl)-2-phenylpiperidine-3-carboxamide
CID 149173476
1-(2,6-dimethylbenzoyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 75215965
3-tert-butylaniline;(2R,3S)-N-(3-tert-butylphenyl)-1-(5-chloro-3-methylpyridine-2-carbonyl)-2-phenylpiperidine-3-carboxamide;N-(3-tert-butylphenyl)-2-chloropyridine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-2-phenylpiperidine-3-carboxamide;N-(3-tert-butylphenyl)-2-phenylpyridine-3-carboxamide;5-chloro-3-methylpyridine-2-carboxylic acid;2-chloropyridine-3-carbonyl chloride;ethane
CID 158047240
(2R,3S)-1-(2-fluoro-6-methylbenzoyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 59376161
(2R)-N-(3-tert-butylphenyl)-1-(2-methylbenzoyl)-2-[4-[[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]piperidine-3-carboxamide
CID 121382017
(3S)-N-(3-tert-butylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-(4-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 147838203
(2R)-N-(3-tert-butylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 121382004
(2R)-N-(3-tert-butylphenyl)-2-[4-[(cyclobutylamino)methyl]phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide
CID 138526895
(2S,3S)-N-(3-tert-butylphenyl)-2-cyclohexa-2,4-dien-1-yl-1-(3-methylpyridine-2-carbonyl)piperidine-3-carboxamide
CID 126669403
(3S)-N-(3-tert-butylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-[4-(3-hydroxypropyl)phenyl]piperidine-3-carboxamide
CID 139317788
(2R)-1-(2,6-dimethylbenzoyl)-N-[3-(2-methylpyrrolidin-1-yl)phenyl]-2-phenylpiperidine-3-carboxamide
CID 139317781
(2R,3S)-N-(3-tert-butylphenyl)-1-(4-chloro-2-methylbenzoyl)-2-[4-(3,3-dimethylbutyl)phenyl]piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-2-[4-(cyclohexylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-2-[4-(3,3-dimethylbutyl)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(4-chloro-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-phenylpiperidine-3-carboxamide
CID 159553583

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butylphenyl)-1-(5-chloro-3-methylpyridine-2-carbonyl)-2-phenylpiperidine-3-carboxamide?
The IUPAC name of N-(3-tert-butylphenyl)-1-(5-chloro-3-methylpyridine-2-carbonyl)-2-phenylpiperidine-3-carboxamide (CID 46830995) is N-(3-tert-butylphenyl)-1-(5-chloro-3-methylpyridine-2-carbonyl)-2-phenylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3-tert-butylphenyl)-1-(5-chloro-3-methylpyridine-2-carbonyl)-2-phenylpiperidine-3-carboxamide?
The canonical SMILES for N-(3-tert-butylphenyl)-1-(5-chloro-3-methylpyridine-2-carbonyl)-2-phenylpiperidine-3-carboxamide is Cc1cc(Cl)cnc1C(=O)N1CCCC(C(=O)Nc2cccc(C(C)(C)C)c2)C1c1ccccc1.
What is the InChIKey of N-(3-tert-butylphenyl)-1-(5-chloro-3-methylpyridine-2-carbonyl)-2-phenylpiperidine-3-carboxamide?
The InChIKey is MMLNXQQWORNAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32ClN3O2/c1-19-16-22(30)18-31-25(19)28(35)33-15-9-14-24(26(33)20-10-6-5-7-11-20)27(34)32-23-13-8-12-21(17-23)29(2,3)4/h5-8,10-13,16-18,24,26H,9,14-15H2,1-4H3,(H,32,34).
What are the key properties of N-(3-tert-butylphenyl)-1-(5-chloro-3-methylpyridine-2-carbonyl)-2-phenylpiperidine-3-carboxamide?
N-(3-tert-butylphenyl)-1-(5-chloro-3-methylpyridine-2-carbonyl)-2-phenylpiperidine-3-carboxamide has a molecular weight of 490.05 g/mol, XLogP of 6.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butylphenyl)-1-(5-chloro-3-methylpyridine-2-carbonyl)-2-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 46830995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).