(3S)-N-methyl-3-[3-[(4-propan-2-ylphenyl)carbamoyl]phenyl]piperidine-1-carboxamide

C23H29N3O2 — CID 92891393

IUPAC(3S)-N-methyl-3-[3-[(4-propan-2-ylphenyl)carbamoyl]phenyl]piperidine-1-carboxamide
SMILESCNC(=O)N1CCC[C@@H](c2cccc(C(=O)Nc3ccc(C(C)C)cc3)c2)C1
InChIInChI=1S/C23H29N3O2/c1-16(2)17-9-11-21(12-10-17)25-22(27)19-7-4-6-18(14-19)20-8-5-13-26(15-20)23(28)24-3/h4,6-7,9-12,14,16,20H,5,8,13,15H2,1-3H3,(H,24,28)(H,25,27)/t20-/m1/s1
InChIKeyPAWPAVSLRURDJI-HXUWFJFHSA-N
MW379.50 g/mol
LogP4.58
Rot. Bonds4

About (3S)-N-methyl-3-[3-[(4-propan-2-ylphenyl)carbamoyl]phenyl]piperidine-1-carboxamide

(3S)-N-methyl-3-[3-[(4-propan-2-ylphenyl)carbamoyl]phenyl]piperidine-1-carboxamide (PubChem CID 92891393) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is (3S)-N-methyl-3-[3-[(4-propan-2-ylphenyl)carbamoyl]phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-methyl-3-[3-[(4-propan-2-ylphenyl)carbamoyl]phenyl]piperidine-1-carboxamide
PubChem CID92891393
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name(3S)-N-methyl-3-[3-[(4-propan-2-ylphenyl)carbamoyl]phenyl]piperidine-1-carboxamide
SMILESCNC(=O)N1CCC[C@@H](c2cccc(C(=O)Nc3ccc(C(C)C)cc3)c2)C1
InChIInChI=1S/C23H29N3O2/c1-16(2)17-9-11-21(12-10-17)25-22(27)19-7-4-6-18(14-19)20-8-5-13-26(15-20)23(28)24-3/h4,6-7,9-12,14,16,20H,5,8,13,15H2,1-3H3,(H,24,28)(H,25,27)/t20-/m1/s1
InChIKeyPAWPAVSLRURDJI-HXUWFJFHSA-N
XLogP4.58
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[3-[[(2S)-butan-2-yl]carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide
CID 92891338
(3R)-3-[3-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide
CID 92891474
(3R)-3-[3-[(2-fluorophenyl)carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide
CID 92891396
N-methyl-3-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide
CID 50789022
3-[3-[(4-fluoro-2-methylphenyl)carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide
CID 50788957
(3R)-N-methyl-3-[3-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 92891498
N-(4-ethoxyphenyl)-3-[3-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-1-carboxamide
CID 46334031
(3S)-3-[3-[(3-chlorophenyl)carbamoyl]phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide
CID 92872501
3-[3-[(2-chlorophenyl)carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 50789013
(3S)-3-[3-(3-methylbutylcarbamoyl)phenyl]-N-phenylpiperidine-1-carboxamide
CID 92872813
(3R)-N-(4-chlorophenyl)-3-[3-[(2,3-dimethylphenyl)carbamoyl]phenyl]piperidine-1-carboxamide
CID 92872614
(3S)-N-(4-chlorophenyl)-3-[3-(3-propan-2-yloxypropylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92872675

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-3-[3-[(4-propan-2-ylphenyl)carbamoyl]phenyl]piperidine-1-carboxamide?
The IUPAC name of (3S)-N-methyl-3-[3-[(4-propan-2-ylphenyl)carbamoyl]phenyl]piperidine-1-carboxamide (CID 92891393) is (3S)-N-methyl-3-[3-[(4-propan-2-ylphenyl)carbamoyl]phenyl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-methyl-3-[3-[(4-propan-2-ylphenyl)carbamoyl]phenyl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-methyl-3-[3-[(4-propan-2-ylphenyl)carbamoyl]phenyl]piperidine-1-carboxamide is CNC(=O)N1CCC[C@@H](c2cccc(C(=O)Nc3ccc(C(C)C)cc3)c2)C1.
What is the InChIKey of (3S)-N-methyl-3-[3-[(4-propan-2-ylphenyl)carbamoyl]phenyl]piperidine-1-carboxamide?
The InChIKey is PAWPAVSLRURDJI-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-16(2)17-9-11-21(12-10-17)25-22(27)19-7-4-6-18(14-19)20-8-5-13-26(15-20)23(28)24-3/h4,6-7,9-12,14,16,20H,5,8,13,15H2,1-3H3,(H,24,28)(H,25,27)/t20-/m1/s1.
What are the key properties of (3S)-N-methyl-3-[3-[(4-propan-2-ylphenyl)carbamoyl]phenyl]piperidine-1-carboxamide?
(3S)-N-methyl-3-[3-[(4-propan-2-ylphenyl)carbamoyl]phenyl]piperidine-1-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-3-[3-[(4-propan-2-ylphenyl)carbamoyl]phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 92891393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).