(3S)-3-[3-(3-methylbutylcarbamoyl)phenyl]-N-phenylpiperidine-1-carboxamide

C24H31N3O2 — CID 92872813

IUPAC(3S)-3-[3-(3-methylbutylcarbamoyl)phenyl]-N-phenylpiperidine-1-carboxamide
SMILESCC(C)CCNC(=O)c1cccc([C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c1
InChIInChI=1S/C24H31N3O2/c1-18(2)13-14-25-23(28)20-9-6-8-19(16-20)21-10-7-15-27(17-21)24(29)26-22-11-4-3-5-12-22/h3-6,8-9,11-12,16,18,21H,7,10,13-15,17H2,1-2H3,(H,25,28)(H,26,29)/t21-/m1/s1
InChIKeyDYSHKSBAVWYXNC-OAQYLSRUSA-N
MW393.53 g/mol
LogP4.87
Rot. Bonds6

About (3S)-3-[3-(3-methylbutylcarbamoyl)phenyl]-N-phenylpiperidine-1-carboxamide

(3S)-3-[3-(3-methylbutylcarbamoyl)phenyl]-N-phenylpiperidine-1-carboxamide (PubChem CID 92872813) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is (3S)-3-[3-(3-methylbutylcarbamoyl)phenyl]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-[3-(3-methylbutylcarbamoyl)phenyl]-N-phenylpiperidine-1-carboxamide
PubChem CID92872813
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name(3S)-3-[3-(3-methylbutylcarbamoyl)phenyl]-N-phenylpiperidine-1-carboxamide
SMILESCC(C)CCNC(=O)c1cccc([C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c1
InChIInChI=1S/C24H31N3O2/c1-18(2)13-14-25-23(28)20-9-6-8-19(16-20)21-10-7-15-27(17-21)24(29)26-22-11-4-3-5-12-22/h3-6,8-9,11-12,16,18,21H,7,10,13-15,17H2,1-2H3,(H,25,28)(H,26,29)/t21-/m1/s1
InChIKeyDYSHKSBAVWYXNC-OAQYLSRUSA-N
XLogP4.87
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-phenyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92872808
(3R)-N-phenyl-3-[3-(3-propan-2-yloxypropylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92872832
3-[3-[2-(4-ethylpiperazin-1-yl)ethylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide
CID 46334212
3-[3-[(2-methylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide
CID 46334225
(3R)-3-[3-[(3-methylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide
CID 92872816
3-[3-[(4-methylsulfanylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide
CID 46334219
(3S)-3-[3-[(3-methoxyphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide
CID 92872821
(3R)-3-[3-(benzylcarbamoyl)phenyl]-N-(4-chlorophenyl)piperidine-1-carboxamide
CID 92872490
(3S)-N-(4-chlorophenyl)-3-[3-(3-propan-2-yloxypropylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92872675
(3R)-N-(4-chlorophenyl)-3-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 92872616
(3S)-3-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide
CID 92872741
(3R)-N-ethyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92890982

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[3-(3-methylbutylcarbamoyl)phenyl]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of (3S)-3-[3-(3-methylbutylcarbamoyl)phenyl]-N-phenylpiperidine-1-carboxamide (CID 92872813) is (3S)-3-[3-(3-methylbutylcarbamoyl)phenyl]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-[3-(3-methylbutylcarbamoyl)phenyl]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for (3S)-3-[3-(3-methylbutylcarbamoyl)phenyl]-N-phenylpiperidine-1-carboxamide is CC(C)CCNC(=O)c1cccc([C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c1.
What is the InChIKey of (3S)-3-[3-(3-methylbutylcarbamoyl)phenyl]-N-phenylpiperidine-1-carboxamide?
The InChIKey is DYSHKSBAVWYXNC-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-18(2)13-14-25-23(28)20-9-6-8-19(16-20)21-10-7-15-27(17-21)24(29)26-22-11-4-3-5-12-22/h3-6,8-9,11-12,16,18,21H,7,10,13-15,17H2,1-2H3,(H,25,28)(H,26,29)/t21-/m1/s1.
What are the key properties of (3S)-3-[3-(3-methylbutylcarbamoyl)phenyl]-N-phenylpiperidine-1-carboxamide?
(3S)-3-[3-(3-methylbutylcarbamoyl)phenyl]-N-phenylpiperidine-1-carboxamide has a molecular weight of 393.53 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[3-(3-methylbutylcarbamoyl)phenyl]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 92872813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).