1-benzylsulfonyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-3-carboxamide

C18H27N3O4S — CID 120948133

IUPAC1-benzylsulfonyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-3-carboxamide
SMILESO=C(NCC1CNCC1O)C1CCCN(S(=O)(=O)Cc2ccccc2)C1
InChIInChI=1S/C18H27N3O4S/c22-17-11-19-9-16(17)10-20-18(23)15-7-4-8-21(12-15)26(24,25)13-14-5-2-1-3-6-14/h1-3,5-6,15-17,19,22H,4,7-13H2,(H,20,23)
InChIKeyVBYUORSISXWATD-UHFFFAOYSA-N
MW381.50 g/mol
LogP-0.08
Rot. Bonds6

About 1-benzylsulfonyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-3-carboxamide

1-benzylsulfonyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-3-carboxamide (PubChem CID 120948133) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is 1-benzylsulfonyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-benzylsulfonyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-3-carboxamide
PubChem CID120948133
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC Name1-benzylsulfonyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-3-carboxamide
SMILESO=C(NCC1CNCC1O)C1CCCN(S(=O)(=O)Cc2ccccc2)C1
InChIInChI=1S/C18H27N3O4S/c22-17-11-19-9-16(17)10-20-18(23)15-7-4-8-21(12-15)26(24,25)13-14-5-2-1-3-6-14/h1-3,5-6,15-17,19,22H,4,7-13H2,(H,20,23)
InChIKeyVBYUORSISXWATD-UHFFFAOYSA-N
XLogP-0.08
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-benzylsulfonyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-3-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

(3S)-1-benzylsulfonyl-N'-(cyclopropanecarbonyl)piperidine-3-carbohydrazide
CID 1444999
1-benzylsulfonylpiperidine-3-carboxylic acid
CID 16773365
4-[(1-benzylsulfonylpiperidine-3-carbonyl)amino]butanoic acid
CID 119171136
(3S)-1-benzylsulfonyl-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 1445004
1-benzylsulfonyl-N-[2-(ethylamino)ethyl]piperidine-3-carboxamide
CID 119506455
(3R)-1-benzylsulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 1445009
N-(3-aminobutyl)-1-benzylsulfonylpiperidine-3-carboxamide;hydrochloride
CID 119496646
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 120946839
(3R)-1-benzylsulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 92642299
(3R)-1-benzylsulfonyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 1445005
1-benzylsulfonyl-N-(2-bromophenyl)piperidine-3-carboxamide
CID 50808819
(3S)-1-benzylsulfonyl-N-[2-(cyclohexen-1-yl)ethyl]piperidine-3-carboxamide
CID 92641347

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-benzylsulfonyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-3-carboxamide (CID 120948133) is 1-benzylsulfonyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-benzylsulfonyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-benzylsulfonyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-3-carboxamide is O=C(NCC1CNCC1O)C1CCCN(S(=O)(=O)Cc2ccccc2)C1.
What is the InChIKey of 1-benzylsulfonyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-3-carboxamide?
The InChIKey is VBYUORSISXWATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S/c22-17-11-19-9-16(17)10-20-18(23)15-7-4-8-21(12-15)26(24,25)13-14-5-2-1-3-6-14/h1-3,5-6,15-17,19,22H,4,7-13H2,(H,20,23).
What are the key properties of 1-benzylsulfonyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-3-carboxamide?
1-benzylsulfonyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-3-carboxamide has a molecular weight of 381.50 g/mol, XLogP of -0.08, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 120948133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).