[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone

C23H29N3O3S — CID 2932900

IUPAC[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)N3CCN(c4ccccc4)CC3)C2)cc1
InChIInChI=1S/C23H29N3O3S/c1-19-9-11-22(12-10-19)30(28,29)26-13-5-6-20(18-26)23(27)25-16-14-24(15-17-25)21-7-3-2-4-8-21/h2-4,7-12,20H,5-6,13-18H2,1H3
InChIKeyKBYBARVBCGTAKY-UHFFFAOYSA-N
MW427.57 g/mol
LogP2.74
Rot. Bonds4

About [1-(4-methylphenyl)sulfonylpiperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone

[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 2932900) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is [1-(4-methylphenyl)sulfonylpiperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID2932900
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC Name[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)N3CCN(c4ccccc4)CC3)C2)cc1
InChIInChI=1S/C23H29N3O3S/c1-19-9-11-22(12-10-19)30(28,29)26-13-5-6-20(18-26)23(27)25-16-14-24(15-17-25)21-7-3-2-4-8-21/h2-4,7-12,20H,5-6,13-18H2,1H3
InChIKeyKBYBARVBCGTAKY-UHFFFAOYSA-N
XLogP2.74
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-Acetylpiperazin-1-Yl)-2-Fluorobenzyl]-N-Cyclobutylbenzenesulfonamide
CID 86346644
N-[4-(4-Acetylpiperazin-1-Yl)benzyl]-N-(2-Methylpropyl)-1-Phenylmethanesulfonamide
CID 86346645
N,4-dimethyl-N-[4-(piperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 1041096
N-(2,4-difluorophenyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide
CID 2112121
4-{4-[(4-Phenylpiperazin-1-yl)sulfonyl]phenyl}pyrrolidin-2-one
CID 2974169
N-[4-(dimethylamino)phenyl]-3-{4-[(4-isopropylphenyl)sulfonyl]piperazin-1-yl}propanamide
CID 3241036
1-(2,5-Dimethylphenyl)-4-({1-[(4-fluorophenyl)sulfonyl]piperidin-2-yl}carbonyl)piperazine
CID 9550339
[4-(2-Fluorophenyl)piperazin-1-yl]{1-[(4-methylphenyl)sulfonyl]piperidin-2-yl}methanone
CID 9551439
4-[(4-methyl-1-piperazinyl)sulfonyl]-N-phenylbenzamide
CID 1262873
N-(3-{4-[4-(toluene-4-sulfonylamino)-butyl]-piperazin-1-yl}-phenyl)-propionamide
CID 10072874
Cyclopropanecarboxylic acid (3-{4-[4-(toluene-4-sulfonylamino)-butyl]-piperazin-1-yl}-phenyl)-amide
CID 10254142
N-(3-{4-[4-(toluene-4-sulfonylamino)-butyl]-piperazin-1-yl}-phenyl)-acetamide
CID 10343434

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylphenyl)sulfonylpiperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [1-(4-methylphenyl)sulfonylpiperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone (CID 2932900) is [1-(4-methylphenyl)sulfonylpiperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(4-methylphenyl)sulfonylpiperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(4-methylphenyl)sulfonylpiperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone is Cc1ccc(S(=O)(=O)N2CCCC(C(=O)N3CCN(c4ccccc4)CC3)C2)cc1.
What is the InChIKey of [1-(4-methylphenyl)sulfonylpiperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is KBYBARVBCGTAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S/c1-19-9-11-22(12-10-19)30(28,29)26-13-5-6-20(18-26)23(27)25-16-14-24(15-17-25)21-7-3-2-4-8-21/h2-4,7-12,20H,5-6,13-18H2,1H3.
What are the key properties of [1-(4-methylphenyl)sulfonylpiperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 427.57 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylphenyl)sulfonylpiperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 2932900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).