1-phenyl-5-(4-propylsulfonylpiperazine-1-carbonyl)pyridin-2-one

C19H23N3O4S — CID 91954866

IUPAC1-phenyl-5-(4-propylsulfonylpiperazine-1-carbonyl)pyridin-2-one
SMILESCCCS(=O)(=O)N1CCN(C(=O)c2ccc(=O)n(-c3ccccc3)c2)CC1
InChIInChI=1S/C19H23N3O4S/c1-2-14-27(25,26)21-12-10-20(11-13-21)19(24)16-8-9-18(23)22(15-16)17-6-4-3-5-7-17/h3-9,15H,2,10-14H2,1H3
InChIKeyPIDGXGFJEDTDAK-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.34
Rot. Bonds5

About 1-phenyl-5-(4-propylsulfonylpiperazine-1-carbonyl)pyridin-2-one

1-phenyl-5-(4-propylsulfonylpiperazine-1-carbonyl)pyridin-2-one (PubChem CID 91954866) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 1-phenyl-5-(4-propylsulfonylpiperazine-1-carbonyl)pyridin-2-one.

Molecular Properties

Compound Name1-phenyl-5-(4-propylsulfonylpiperazine-1-carbonyl)pyridin-2-one
PubChem CID91954866
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name1-phenyl-5-(4-propylsulfonylpiperazine-1-carbonyl)pyridin-2-one
SMILESCCCS(=O)(=O)N1CCN(C(=O)c2ccc(=O)n(-c3ccccc3)c2)CC1
InChIInChI=1S/C19H23N3O4S/c1-2-14-27(25,26)21-12-10-20(11-13-21)19(24)16-8-9-18(23)22(15-16)17-6-4-3-5-7-17/h3-9,15H,2,10-14H2,1H3
InChIKeyPIDGXGFJEDTDAK-UHFFFAOYSA-N
XLogP1.34
TPSA79.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-phenyl-5-(4-propylsulfonylpiperazine-1-carbonyl)pyridin-2-one 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

5-(4-ethylpiperazine-1-carbonyl)-1-phenylpyridin-2-one
CID 91945531
phenyl-(4-propylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110798192
5-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1-phenylpyridin-2-one
CID 97465061
(4-chlorophenyl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 777474
(4-fluorophenyl)-(4-propylsulfonylpiperazin-1-yl)methanone;oxalic acid
CID 171154802
(4-propylphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 47886259
N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-6-oxo-1-phenylpyridine-3-carboxamide
CID 91954882
(4-ethoxyphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 110804828
5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-phenylpyridin-2-one
CID 91954902
N-[2-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]ethyl]-6-oxo-1-phenylpyridine-3-carboxamide
CID 91954874
(4-fluorophenyl)-(4-propylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110798399
3-(4-propylsulfonylpiperazine-1-carbonyl)benzonitrile
CID 110818216

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-(4-propylsulfonylpiperazine-1-carbonyl)pyridin-2-one?
The IUPAC name of 1-phenyl-5-(4-propylsulfonylpiperazine-1-carbonyl)pyridin-2-one (CID 91954866) is 1-phenyl-5-(4-propylsulfonylpiperazine-1-carbonyl)pyridin-2-one.
What is the SMILES notation for 1-phenyl-5-(4-propylsulfonylpiperazine-1-carbonyl)pyridin-2-one?
The canonical SMILES for 1-phenyl-5-(4-propylsulfonylpiperazine-1-carbonyl)pyridin-2-one is CCCS(=O)(=O)N1CCN(C(=O)c2ccc(=O)n(-c3ccccc3)c2)CC1.
What is the InChIKey of 1-phenyl-5-(4-propylsulfonylpiperazine-1-carbonyl)pyridin-2-one?
The InChIKey is PIDGXGFJEDTDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-2-14-27(25,26)21-12-10-20(11-13-21)19(24)16-8-9-18(23)22(15-16)17-6-4-3-5-7-17/h3-9,15H,2,10-14H2,1H3.
What are the key properties of 1-phenyl-5-(4-propylsulfonylpiperazine-1-carbonyl)pyridin-2-one?
1-phenyl-5-(4-propylsulfonylpiperazine-1-carbonyl)pyridin-2-one has a molecular weight of 389.48 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-(4-propylsulfonylpiperazine-1-carbonyl)pyridin-2-one is sourced from PubChem (CID 91954866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).