1-benzylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide

C23H30N2O3S — CID 29204152

IUPAC1-benzylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C23H30N2O3S/c1-19(12-13-20-8-4-2-5-9-20)24-23(26)22-14-16-25(17-15-22)29(27,28)18-21-10-6-3-7-11-21/h2-11,19,22H,12-18H2,1H3,(H,24,26)/t19-/m0/s1
InChIKeyAHAKYIOGIVPLQR-IBGZPJMESA-N
MW414.57 g/mol
LogP3.37
Rot. Bonds8

About 1-benzylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide

1-benzylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide (PubChem CID 29204152) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is 1-benzylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide
PubChem CID29204152
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC Name1-benzylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C23H30N2O3S/c1-19(12-13-20-8-4-2-5-9-20)24-23(26)22-14-16-25(17-15-22)29(27,28)18-21-10-6-3-7-11-21/h2-11,19,22H,12-18H2,1H3,(H,24,26)/t19-/m0/s1
InChIKeyAHAKYIOGIVPLQR-IBGZPJMESA-N
XLogP3.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzylsulfonyl-N-[(2S)-1-methoxypropan-2-yl]piperidine-4-carboxamide
CID 29204159
N-[(2S)-4-phenylbutan-2-yl]cyclopropanecarboxamide
CID 844321
N-[(2S)-4-phenylbutan-2-yl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26290785
1-benzylsulfonyl-N-[(1S)-1-phenylpropyl]piperidine-4-carboxamide
CID 92676349
1-[(4-bromophenyl)methylsulfonyl]-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide
CID 28569428
1-benzylsulfonyl-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-4-carboxamide
CID 86939529
N-[(2R)-butan-2-yl]-1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92802421
(3R)-1-[(3-chlorophenyl)methylsulfonyl]-N-[(2R)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 92641829
1-benzylsulfonyl-N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 92675990
1-[(3-bromophenyl)methylsulfonyl]-N-pentan-2-ylpiperidine-4-carboxamide
CID 43876056
N-[(2S)-butan-2-yl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92802448
1-[(2-fluorophenyl)methylsulfonyl]-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide
CID 92802478

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-benzylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide (CID 29204152) is 1-benzylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-benzylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-benzylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide is C[C@@H](CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1.
What is the InChIKey of 1-benzylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide?
The InChIKey is AHAKYIOGIVPLQR-IBGZPJMESA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-19(12-13-20-8-4-2-5-9-20)24-23(26)22-14-16-25(17-15-22)29(27,28)18-21-10-6-3-7-11-21/h2-11,19,22H,12-18H2,1H3,(H,24,26)/t19-/m0/s1.
What are the key properties of 1-benzylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide?
1-benzylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide has a molecular weight of 414.57 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 29204152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).