[1-[1-(4-methylphenyl)sulfonylazetidin-3-yl]piperidin-3-yl]-pyridin-2-ylmethanone

C21H25N3O3S — CID 131919418

IUPAC[1-[1-(4-methylphenyl)sulfonylazetidin-3-yl]piperidin-3-yl]-pyridin-2-ylmethanone
SMILESCc1ccc(S(=O)(=O)N2CC(N3CCCC(C(=O)c4ccccn4)C3)C2)cc1
InChIInChI=1S/C21H25N3O3S/c1-16-7-9-19(10-8-16)28(26,27)24-14-18(15-24)23-12-4-5-17(13-23)21(25)20-6-2-3-11-22-20/h2-3,6-11,17-18H,4-5,12-15H2,1H3
InChIKeyTXAFBGFUGNHHHW-UHFFFAOYSA-N
MW399.52 g/mol
LogP2.36
Rot. Bonds5

About [1-[1-(4-methylphenyl)sulfonylazetidin-3-yl]piperidin-3-yl]-pyridin-2-ylmethanone

[1-[1-(4-methylphenyl)sulfonylazetidin-3-yl]piperidin-3-yl]-pyridin-2-ylmethanone (PubChem CID 131919418) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is [1-[1-(4-methylphenyl)sulfonylazetidin-3-yl]piperidin-3-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[1-[1-(4-methylphenyl)sulfonylazetidin-3-yl]piperidin-3-yl]-pyridin-2-ylmethanone
PubChem CID131919418
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC Name[1-[1-(4-methylphenyl)sulfonylazetidin-3-yl]piperidin-3-yl]-pyridin-2-ylmethanone
SMILESCc1ccc(S(=O)(=O)N2CC(N3CCCC(C(=O)c4ccccn4)C3)C2)cc1
InChIInChI=1S/C21H25N3O3S/c1-16-7-9-19(10-8-16)28(26,27)24-14-18(15-24)23-12-4-5-17(13-23)21(25)20-6-2-3-11-22-20/h2-3,6-11,17-18H,4-5,12-15H2,1H3
InChIKeyTXAFBGFUGNHHHW-UHFFFAOYSA-N
XLogP2.36
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-[1-(4-methylphenyl)sulfonylazetidin-3-yl]piperidin-3-yl]-pyridin-2-ylmethanone 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

6-[3-(pyridine-2-carbonyl)piperidin-1-yl]sulfonylchromen-2-one
CID 171910398
(3S)-N-benzyl-3-(pyridine-2-carbonyl)piperidine-1-sulfonamide
CID 95525317
[(3S)-1-[2-(5-methylpyrazol-1-yl)ethyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 124852139
(3R)-N'-(cyclopentanecarbonyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide
CID 9473935
(3R)-1-(4-methylphenyl)sulfonyl-N-quinolin-4-ylpiperidine-3-carboxamide
CID 1455613
(3S)-N,N-dimethyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 30156240
(3S)-N-(2-acetamidophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 30156119
(3R)-1-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96580415
[(3S)-1-[3-(4-methylpyrazol-1-yl)propyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 124757098
(3R)-N-(2-ethoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1075960
[1-[3-(4-methylpyrazol-1-yl)propyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 91829986
2-(3-methyl-1,2-oxazol-5-yl)-1-[(3R)-3-(pyridine-2-carbonyl)piperidin-1-yl]ethanone
CID 124753059

Frequently Asked Questions

What is the IUPAC name of [1-[1-(4-methylphenyl)sulfonylazetidin-3-yl]piperidin-3-yl]-pyridin-2-ylmethanone?
The IUPAC name of [1-[1-(4-methylphenyl)sulfonylazetidin-3-yl]piperidin-3-yl]-pyridin-2-ylmethanone (CID 131919418) is [1-[1-(4-methylphenyl)sulfonylazetidin-3-yl]piperidin-3-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [1-[1-(4-methylphenyl)sulfonylazetidin-3-yl]piperidin-3-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [1-[1-(4-methylphenyl)sulfonylazetidin-3-yl]piperidin-3-yl]-pyridin-2-ylmethanone is Cc1ccc(S(=O)(=O)N2CC(N3CCCC(C(=O)c4ccccn4)C3)C2)cc1.
What is the InChIKey of [1-[1-(4-methylphenyl)sulfonylazetidin-3-yl]piperidin-3-yl]-pyridin-2-ylmethanone?
The InChIKey is TXAFBGFUGNHHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c1-16-7-9-19(10-8-16)28(26,27)24-14-18(15-24)23-12-4-5-17(13-23)21(25)20-6-2-3-11-22-20/h2-3,6-11,17-18H,4-5,12-15H2,1H3.
What are the key properties of [1-[1-(4-methylphenyl)sulfonylazetidin-3-yl]piperidin-3-yl]-pyridin-2-ylmethanone?
[1-[1-(4-methylphenyl)sulfonylazetidin-3-yl]piperidin-3-yl]-pyridin-2-ylmethanone has a molecular weight of 399.52 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(4-methylphenyl)sulfonylazetidin-3-yl]piperidin-3-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 131919418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).