1-(4-chlorophenyl)sulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-3-carboxamide

C24H31ClN4O3S — CID 55634055

IUPAC1-(4-chlorophenyl)sulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-3-carboxamide
SMILESO=C(NCCN1CCN(c2ccccc2)CC1)C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C24H31ClN4O3S/c25-21-8-10-23(11-9-21)33(31,32)29-13-4-5-20(19-29)24(30)26-12-14-27-15-17-28(18-16-27)22-6-2-1-3-7-22/h1-3,6-11,20H,4-5,12-19H2,(H,26,30)
InChIKeyVSHSFUSJUUBUPO-UHFFFAOYSA-N
MW491.06 g/mol
LogP2.68
Rot. Bonds7

About 1-(4-chlorophenyl)sulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-3-carboxamide

1-(4-chlorophenyl)sulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-3-carboxamide (PubChem CID 55634055) has the molecular formula C24H31ClN4O3S and a molecular weight of 491.06 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-3-carboxamide
PubChem CID55634055
Molecular FormulaC24H31ClN4O3S
Molecular Weight491.06 g/mol
Exact Mass490.18
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-3-carboxamide
SMILESO=C(NCCN1CCN(c2ccccc2)CC1)C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C24H31ClN4O3S/c25-21-8-10-23(11-9-21)33(31,32)29-13-4-5-20(19-29)24(30)26-12-14-27-15-17-28(18-16-27)22-6-2-1-3-7-22/h1-3,6-11,20H,4-5,12-19H2,(H,26,30)
InChIKeyVSHSFUSJUUBUPO-UHFFFAOYSA-N
XLogP2.68
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.06
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)sulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-3-carboxamide
CID 43066980
(3S)-1-(4-chlorophenyl)sulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 35617033
1-(3,4-difluorophenyl)sulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
CID 46410411
N-[3-(azepan-1-yl)propyl]-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 133167771
1-(4-chlorophenyl)sulfonyl-N-[3-(2,3-dihydroindol-1-yl)propyl]piperidine-3-carboxamide
CID 133189530
(3R)-N-[3-(2-chlorophenyl)propyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 100675499
(3S)-1-(4-chlorophenyl)sulfonyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 42535536
1-(4-chlorophenyl)sulfonyl-N-(cyclohexylmethyl)piperidine-3-carboxamide
CID 3214745
(3R)-1-(4-chlorophenyl)sulfonyl-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-3-carboxamide
CID 30331284
1-(4-chlorophenyl)sulfonyl-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 24636962
(3S)-1-(4-chlorophenyl)sulfonyl-N-(2-cyclopentylsulfanylethyl)piperidine-3-carboxamide
CID 32543820
(3R)-1-(4-chlorophenyl)sulfonyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 32888239

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-3-carboxamide (CID 55634055) is 1-(4-chlorophenyl)sulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-3-carboxamide is O=C(NCCN1CCN(c2ccccc2)CC1)C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is VSHSFUSJUUBUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN4O3S/c25-21-8-10-23(11-9-21)33(31,32)29-13-4-5-20(19-29)24(30)26-12-14-27-15-17-28(18-16-27)22-6-2-1-3-7-22/h1-3,6-11,20H,4-5,12-19H2,(H,26,30).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-3-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 491.06 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 55634055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).