1-benzylsulfonyl-N-[(1S)-1-phenylpropyl]piperidine-4-carboxamide

C22H28N2O3S — CID 92676349

IUPAC1-benzylsulfonyl-N-[(1S)-1-phenylpropyl]piperidine-4-carboxamide
SMILESCC[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C22H28N2O3S/c1-2-21(19-11-7-4-8-12-19)23-22(25)20-13-15-24(16-14-20)28(26,27)17-18-9-5-3-6-10-18/h3-12,20-21H,2,13-17H2,1H3,(H,23,25)/t21-/m0/s1
InChIKeyRJPJNYMLROKJTK-NRFANRHFSA-N
MW400.54 g/mol
LogP3.50
Rot. Bonds7

About 1-benzylsulfonyl-N-[(1S)-1-phenylpropyl]piperidine-4-carboxamide

1-benzylsulfonyl-N-[(1S)-1-phenylpropyl]piperidine-4-carboxamide (PubChem CID 92676349) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is 1-benzylsulfonyl-N-[(1S)-1-phenylpropyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzylsulfonyl-N-[(1S)-1-phenylpropyl]piperidine-4-carboxamide
PubChem CID92676349
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC Name1-benzylsulfonyl-N-[(1S)-1-phenylpropyl]piperidine-4-carboxamide
SMILESCC[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C22H28N2O3S/c1-2-21(19-11-7-4-8-12-19)23-22(25)20-13-15-24(16-14-20)28(26,27)17-18-9-5-3-6-10-18/h3-12,20-21H,2,13-17H2,1H3,(H,23,25)/t21-/m0/s1
InChIKeyRJPJNYMLROKJTK-NRFANRHFSA-N
XLogP3.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)methylsulfonyl]-N-[(1S)-1-phenylpropyl]piperidine-4-carboxamide
CID 93486857
1-[(4-fluorophenyl)methylsulfonyl]-N-[(1S)-1-phenylpropyl]piperidine-4-carboxamide
CID 92680370
1-[(3-chlorophenyl)methylsulfonyl]-N-[(1R)-1-phenylpropyl]piperidine-4-carboxamide
CID 92679179
1-[(3-chlorophenyl)methylsulfonyl]-N-[(1S)-1-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 94015750
N-(3-methyl-1-phenylbutyl)-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 46772832
1-benzylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide
CID 29204152
1-methyl-N-(1-phenylpropyl)piperidine-4-carboxamide
CID 50875269
1-[(2-chlorophenyl)methylsulfonyl]-N-[(1S)-1-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 94012854
1-[(3-chlorophenyl)methylsulfonyl]-N-(3-methyl-1-phenylbutyl)piperidine-4-carboxamide
CID 43885252
1-[(3-bromophenyl)methylsulfonyl]-N-[(1S)-1-(4-methoxyphenyl)propyl]piperidine-4-carboxamide
CID 28635610
1-[(4-chlorophenyl)methylsulfonyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 92802401
N-(1-phenylpropyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 43875835

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-N-[(1S)-1-phenylpropyl]piperidine-4-carboxamide?
The IUPAC name of 1-benzylsulfonyl-N-[(1S)-1-phenylpropyl]piperidine-4-carboxamide (CID 92676349) is 1-benzylsulfonyl-N-[(1S)-1-phenylpropyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-benzylsulfonyl-N-[(1S)-1-phenylpropyl]piperidine-4-carboxamide?
The canonical SMILES for 1-benzylsulfonyl-N-[(1S)-1-phenylpropyl]piperidine-4-carboxamide is CC[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 1-benzylsulfonyl-N-[(1S)-1-phenylpropyl]piperidine-4-carboxamide?
The InChIKey is RJPJNYMLROKJTK-NRFANRHFSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-2-21(19-11-7-4-8-12-19)23-22(25)20-13-15-24(16-14-20)28(26,27)17-18-9-5-3-6-10-18/h3-12,20-21H,2,13-17H2,1H3,(H,23,25)/t21-/m0/s1.
What are the key properties of 1-benzylsulfonyl-N-[(1S)-1-phenylpropyl]piperidine-4-carboxamide?
1-benzylsulfonyl-N-[(1S)-1-phenylpropyl]piperidine-4-carboxamide has a molecular weight of 400.54 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-N-[(1S)-1-phenylpropyl]piperidine-4-carboxamide is sourced from PubChem (CID 92676349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).