(3S)-1-[3-(2-propan-2-ylphenyl)benzoyl]piperidine-3-carboxamide

C22H26N2O2 — CID 126442176

IUPAC(3S)-1-[3-(2-propan-2-ylphenyl)benzoyl]piperidine-3-carboxamide
SMILESCC(C)c1ccccc1-c1cccc(C(=O)N2CCC[C@H](C(N)=O)C2)c1
InChIInChI=1S/C22H26N2O2/c1-15(2)19-10-3-4-11-20(19)16-7-5-8-17(13-16)22(26)24-12-6-9-18(14-24)21(23)25/h3-5,7-8,10-11,13,15,18H,6,9,12,14H2,1-2H3,(H2,23,25)/t18-/m0/s1
InChIKeyVDULUHONVWHZJW-SFHVURJKSA-N
MW350.46 g/mol
LogP3.81
Rot. Bonds4

About (3S)-1-[3-(2-propan-2-ylphenyl)benzoyl]piperidine-3-carboxamide

(3S)-1-[3-(2-propan-2-ylphenyl)benzoyl]piperidine-3-carboxamide (PubChem CID 126442176) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is (3S)-1-[3-(2-propan-2-ylphenyl)benzoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[3-(2-propan-2-ylphenyl)benzoyl]piperidine-3-carboxamide
PubChem CID126442176
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name(3S)-1-[3-(2-propan-2-ylphenyl)benzoyl]piperidine-3-carboxamide
SMILESCC(C)c1ccccc1-c1cccc(C(=O)N2CCC[C@H](C(N)=O)C2)c1
InChIInChI=1S/C22H26N2O2/c1-15(2)19-10-3-4-11-20(19)16-7-5-8-17(13-16)22(26)24-12-6-9-18(14-24)21(23)25/h3-5,7-8,10-11,13,15,18H,6,9,12,14H2,1-2H3,(H2,23,25)/t18-/m0/s1
InChIKeyVDULUHONVWHZJW-SFHVURJKSA-N
XLogP3.81
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[3-(6-amino-2-methylsulfanylpyrimidin-4-yl)benzoyl]piperidine-3-carboxamide
CID 126432128
(3R)-1-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzoyl]piperidine-3-carboxamide
CID 125442231
(3S)-1-[3-(3H-benzimidazol-5-yl)benzoyl]piperidine-3-carboxamide
CID 126448856
1-[2-[3-(3-aminopiperidine-1-carbonyl)phenyl]phenyl]ethanone
CID 119062026
1-(1-methyl-5-phenylpyrazole-4-carbonyl)piperidine-3-carboxamide
CID 146086934
(3S)-1-[3-(azepan-1-ylsulfonyl)benzoyl]piperidine-3-carboxamide
CID 9395607
1-[3-(7-fluoroquinolin-3-yl)benzoyl]piperidine-3-carboxamide
CID 162628143
(3S)-1-(2,3-dimethylquinoxaline-6-carbonyl)piperidine-3-carboxamide
CID 94457790
[3-(2-bromophenyl)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 170459985
[3-(3-methylpiperidine-1-carbonyl)phenyl]-piperidin-1-ylmethanone
CID 109052035
1-(3,5-dihydroxybenzoyl)piperidine-3-carboxamide
CID 103891600
(3-hydroxypiperidin-1-yl)-(3-phenylphenyl)methanone
CID 110868609

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-(2-propan-2-ylphenyl)benzoyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[3-(2-propan-2-ylphenyl)benzoyl]piperidine-3-carboxamide (CID 126442176) is (3S)-1-[3-(2-propan-2-ylphenyl)benzoyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[3-(2-propan-2-ylphenyl)benzoyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[3-(2-propan-2-ylphenyl)benzoyl]piperidine-3-carboxamide is CC(C)c1ccccc1-c1cccc(C(=O)N2CCC[C@H](C(N)=O)C2)c1.
What is the InChIKey of (3S)-1-[3-(2-propan-2-ylphenyl)benzoyl]piperidine-3-carboxamide?
The InChIKey is VDULUHONVWHZJW-SFHVURJKSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-15(2)19-10-3-4-11-20(19)16-7-5-8-17(13-16)22(26)24-12-6-9-18(14-24)21(23)25/h3-5,7-8,10-11,13,15,18H,6,9,12,14H2,1-2H3,(H2,23,25)/t18-/m0/s1.
What are the key properties of (3S)-1-[3-(2-propan-2-ylphenyl)benzoyl]piperidine-3-carboxamide?
(3S)-1-[3-(2-propan-2-ylphenyl)benzoyl]piperidine-3-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[3-(2-propan-2-ylphenyl)benzoyl]piperidine-3-carboxamide is sourced from PubChem (CID 126442176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).