1-(benzenesulfonyl)-N-benzyl-N-propylpiperidine-4-carboxamide

C22H28N2O3S — CID 26292200

IUPAC1-(benzenesulfonyl)-N-benzyl-N-propylpiperidine-4-carboxamide
SMILESCCCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C22H28N2O3S/c1-2-15-23(18-19-9-5-3-6-10-19)22(25)20-13-16-24(17-14-20)28(26,27)21-11-7-4-8-12-21/h3-12,20H,2,13-18H2,1H3
InChIKeyGBVQDMMGNBMQFI-UHFFFAOYSA-N
MW400.54 g/mol
LogP3.53
Rot. Bonds7

About 1-(benzenesulfonyl)-N-benzyl-N-propylpiperidine-4-carboxamide

1-(benzenesulfonyl)-N-benzyl-N-propylpiperidine-4-carboxamide (PubChem CID 26292200) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-benzyl-N-propylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-benzyl-N-propylpiperidine-4-carboxamide
PubChem CID26292200
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC Name1-(benzenesulfonyl)-N-benzyl-N-propylpiperidine-4-carboxamide
SMILESCCCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C22H28N2O3S/c1-2-15-23(18-19-9-5-3-6-10-19)22(25)20-13-16-24(17-14-20)28(26,27)21-11-7-4-8-12-21/h3-12,20H,2,13-18H2,1H3
InChIKeyGBVQDMMGNBMQFI-UHFFFAOYSA-N
XLogP3.53
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(benzenesulfonyl)-N-benzyl-N-propylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(benzenesulfonyl)-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 26415263
N-benzyl-1-(2-fluorophenyl)sulfonyl-N-propylpiperidine-4-carboxamide
CID 26292191
N-benzyl-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-propylpiperidine-4-carboxamide
CID 43020408
N-benzyl-N-ethyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46438676
N-benzyl-N-ethyl-1-(3-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 71737574
N-benzyl-1-(2-methyl-5-nitrophenyl)sulfonyl-N-propylpiperidine-4-carboxamide
CID 26292172
methyl 3-[benzyl-[1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carbonyl]amino]propanoate
CID 55512905
N-[(4-cyanophenyl)methyl]-1-(2-cyanophenyl)sulfonyl-N-propylpiperidine-4-carboxamide
CID 55594937
N-benzyl-1-(2,6-dichlorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 27826689
1-N-benzyl-1-N-ethyl-4-N,4-N-dipropylcyclohexane-1,4-dicarboxamide
CID 109148640
3-[1-(benzenesulfonyl)piperidin-4-yl]-N-benzyl-N-ethylpropanamide
CID 91903765
N-benzyl-N-methyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113004164

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-benzyl-N-propylpiperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-benzyl-N-propylpiperidine-4-carboxamide (CID 26292200) is 1-(benzenesulfonyl)-N-benzyl-N-propylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-benzyl-N-propylpiperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-benzyl-N-propylpiperidine-4-carboxamide is CCCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-N-benzyl-N-propylpiperidine-4-carboxamide?
The InChIKey is GBVQDMMGNBMQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-2-15-23(18-19-9-5-3-6-10-19)22(25)20-13-16-24(17-14-20)28(26,27)21-11-7-4-8-12-21/h3-12,20H,2,13-18H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-N-benzyl-N-propylpiperidine-4-carboxamide?
1-(benzenesulfonyl)-N-benzyl-N-propylpiperidine-4-carboxamide has a molecular weight of 400.54 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-benzyl-N-propylpiperidine-4-carboxamide is sourced from PubChem (CID 26292200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).