[4-(2-methylphenyl)piperazin-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone

C23H29N3O3S — CID 9153252

IUPAC[4-(2-methylphenyl)piperazin-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone
SMILESCc1ccccc1N1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CC1
InChIInChI=1S/C23H29N3O3S/c1-19-8-3-4-11-22(19)24-14-16-25(17-15-24)23(27)20-9-7-10-21(18-20)30(28,29)26-12-5-2-6-13-26/h3-4,7-11,18H,2,5-6,12-17H2,1H3
InChIKeyWJEHCSMMNAPUCC-UHFFFAOYSA-N
MW427.57 g/mol
LogP3.13
Rot. Bonds4

About [4-(2-methylphenyl)piperazin-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone

[4-(2-methylphenyl)piperazin-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone (PubChem CID 9153252) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is [4-(2-methylphenyl)piperazin-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[4-(2-methylphenyl)piperazin-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone
PubChem CID9153252
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC Name[4-(2-methylphenyl)piperazin-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone
SMILESCc1ccccc1N1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CC1
InChIInChI=1S/C23H29N3O3S/c1-19-8-3-4-11-22(19)24-14-16-25(17-15-24)23(27)20-9-7-10-21(18-20)30(28,29)26-12-5-2-6-13-26/h3-4,7-11,18H,2,5-6,12-17H2,1H3
InChIKeyWJEHCSMMNAPUCC-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

azocan-1-yl-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 8502510
[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 112766393
[3-(azepan-1-ylsulfonyl)phenyl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 24627712
[3-(azetidin-1-ylsulfonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 142545287
1-[4-[4-(3-piperidin-1-ylsulfonylbenzoyl)piperazin-1-yl]phenyl]ethanone
CID 26886601
[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone
CID 38991805
N-methyl-3-[4-(2-methylphenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 9152175
[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 34744032
[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 28590852
tert-butyl 4-(3-pyrrolidin-1-ylsulfonylbenzoyl)piperazine-1-carboxylate
CID 31517353
4-[3-(azepan-1-ylsulfonyl)benzoyl]-N,N-diethylpiperazine-1-sulfonamide
CID 24584449
[4-(benzenesulfonyl)piperazin-1-yl]-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone
CID 55339492

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylphenyl)piperazin-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone?
The IUPAC name of [4-(2-methylphenyl)piperazin-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone (CID 9153252) is [4-(2-methylphenyl)piperazin-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone.
What is the SMILES notation for [4-(2-methylphenyl)piperazin-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone?
The canonical SMILES for [4-(2-methylphenyl)piperazin-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone is Cc1ccccc1N1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CC1.
What is the InChIKey of [4-(2-methylphenyl)piperazin-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone?
The InChIKey is WJEHCSMMNAPUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S/c1-19-8-3-4-11-22(19)24-14-16-25(17-15-24)23(27)20-9-7-10-21(18-20)30(28,29)26-12-5-2-6-13-26/h3-4,7-11,18H,2,5-6,12-17H2,1H3.
What are the key properties of [4-(2-methylphenyl)piperazin-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone?
[4-(2-methylphenyl)piperazin-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone has a molecular weight of 427.57 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylphenyl)piperazin-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone is sourced from PubChem (CID 9153252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).