1-(benzenesulfonyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide

C19H27N3O4S — CID 18105420

IUPAC1-(benzenesulfonyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
SMILESO=C(NCCCN1CCCC1=O)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H27N3O4S/c23-18-8-4-12-21(18)13-5-11-20-19(24)16-9-14-22(15-10-16)27(25,26)17-6-2-1-3-7-17/h1-3,6-7,16H,4-5,8-15H2,(H,20,24)
InChIKeyLMMPQNUDVNTBAF-UHFFFAOYSA-N
MW393.51 g/mol
LogP1.22
Rot. Bonds7

About 1-(benzenesulfonyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide

1-(benzenesulfonyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide (PubChem CID 18105420) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
PubChem CID18105420
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC Name1-(benzenesulfonyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
SMILESO=C(NCCCN1CCCC1=O)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H27N3O4S/c23-18-8-4-12-21(18)13-5-11-20-19(24)16-9-14-22(15-10-16)27(25,26)17-6-2-1-3-7-17/h1-3,6-7,16H,4-5,8-15H2,(H,20,24)
InChIKeyLMMPQNUDVNTBAF-UHFFFAOYSA-N
XLogP1.22
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 6467110
[1-(Phenylsulfonyl)-4-piperidinyl](piperidino)methanone
CID 1084367
1-[N-(phenylsulfonyl)glycylglycyl]piperidine
CID 2233338
1-(4-methylphenyl)sulfonyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
CID 2450240
3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 2573541
2-[2-[4-(Benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 4845766
1-(4-fluorophenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-4-carboxamide
CID 651280
1-{2-[Cyclohexyl-(4-fluoro-benzenesulfonyl)-amino]-acetyl}-piperidine-4-carboxylic acid amide
CID 1072980
1-[1-(Benzenesulfonyl)piperidine-4-carbonyl]piperidine-4-carboxamide
CID 1084370
1-(3-{4-[(2-Methylpropyl)sulfamoyl]phenyl}propanoyl)piperidine-4-carboxamide
CID 1287856
N-cycloheptyl-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide
CID 1326327
N-cycloheptyl-1-(phenylsulfonyl)-4-piperidinecarboxamide
CID 1327626

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide (CID 18105420) is 1-(benzenesulfonyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide is O=C(NCCCN1CCCC1=O)C1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide?
The InChIKey is LMMPQNUDVNTBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S/c23-18-8-4-12-21(18)13-5-11-20-19(24)16-9-14-22(15-10-16)27(25,26)17-6-2-1-3-7-17/h1-3,6-7,16H,4-5,8-15H2,(H,20,24).
What are the key properties of 1-(benzenesulfonyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide?
1-(benzenesulfonyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide has a molecular weight of 393.51 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 18105420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).