[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-1-yl)methanone

C17H24ClN3O3S — CID 2930578

IUPAC[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C17H24ClN3O3S/c1-19-9-11-20(12-10-19)17(22)14-3-2-8-21(13-14)25(23,24)16-6-4-15(18)5-7-16/h4-7,14H,2-3,8-13H2,1H3
InChIKeyKWMBDDZCRPVLDE-UHFFFAOYSA-N
MW385.92 g/mol
LogP1.51
Rot. Bonds3

About [1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-1-yl)methanone

[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 2930578) has the molecular formula C17H24ClN3O3S and a molecular weight of 385.92 g/mol. Its IUPAC name is [1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID2930578
Molecular FormulaC17H24ClN3O3S
Molecular Weight385.92 g/mol
Exact Mass385.12
IUPAC Name[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C17H24ClN3O3S/c1-19-9-11-20(12-10-19)17(22)14-3-2-8-21(13-14)25(23,24)16-6-4-15(18)5-7-16/h4-7,14H,2-3,8-13H2,1H3
InChIKeyKWMBDDZCRPVLDE-UHFFFAOYSA-N
XLogP1.51
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.92
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-1-yl)methanone 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

4-chloro-N-methyl-N-[2-oxo-2-(piperidin-1-yl)ethyl]benzenesulfonamide
CID 804119
[1-(Phenylsulfonyl)piperidin-3-yl](piperidin-1-yl)methanone
CID 2931939
1-({1-[(4-Fluorophenyl)sulfonyl]-3-piperidinyl}carbonyl)-4-methylpiperazine
CID 3572352
{1-[(4-Methylphenyl)sulfonyl]piperidin-3-yl}(4-methylpiperazin-1-yl)methanone
CID 4522044
Azetidin-1-yl-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methanone
CID 7999036
[1-(2,6-Dichlorophenyl)sulfonylpiperidin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 17533389
[1-(4-Chloro-benzenesulfonyl)-piperidin-4-yl]-pyrrolidin-1-yl-methanone
CID 3155582
[1-(4-Chlorophenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 3156746
[1-(4-Fluorophenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 3271386
Ethyl 4-({1-[(4-chlorophenyl)sulfonyl]piperidin-4-yl}carbonyl)piperazine-1-carboxylate
CID 2920802
1-{N-[(4-chlorophenyl)sulfonyl]-N-ethylglycyl}piperidine-4-carboxamide
CID 2982052
4-Chloro-N-[3-(4-methyl-piperidin-1-yl)-3-oxo-propyl]-benzenesulfonamide
CID 3160568

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-1-yl)methanone (CID 2930578) is [1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)C2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)CC1.
What is the InChIKey of [1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is KWMBDDZCRPVLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O3S/c1-19-9-11-20(12-10-19)17(22)14-3-2-8-21(13-14)25(23,24)16-6-4-15(18)5-7-16/h4-7,14H,2-3,8-13H2,1H3.
What are the key properties of [1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-1-yl)methanone?
[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 385.92 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 2930578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).