[4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanone

C24H38N4O3S — CID 46276241

IUPAC[4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanone
SMILESCc1ccc(C)c(N2CCN(C(=O)C3CCCN(S(=O)(=O)N4CCC(C)CC4)C3)CC2)c1
InChIInChI=1S/C24H38N4O3S/c1-19-8-11-27(12-9-19)32(30,31)28-10-4-5-22(18-28)24(29)26-15-13-25(14-16-26)23-17-20(2)6-7-21(23)3/h6-7,17,19,22H,4-5,8-16,18H2,1-3H3
InChIKeySCOQTJIVOVOQSY-UHFFFAOYSA-N
MW462.66 g/mol
LogP2.64
Rot. Bonds4

About [4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanone

[4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanone (PubChem CID 46276241) has the molecular formula C24H38N4O3S and a molecular weight of 462.66 g/mol. Its IUPAC name is [4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanone.

Molecular Properties

Compound Name[4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanone
PubChem CID46276241
Molecular FormulaC24H38N4O3S
Molecular Weight462.66 g/mol
Exact Mass462.27
IUPAC Name[4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanone
SMILESCc1ccc(C)c(N2CCN(C(=O)C3CCCN(S(=O)(=O)N4CCC(C)CC4)C3)CC2)c1
InChIInChI=1S/C24H38N4O3S/c1-19-8-11-27(12-9-19)32(30,31)28-10-4-5-22(18-28)24(29)26-15-13-25(14-16-26)23-17-20(2)6-7-21(23)3/h6-7,17,19,22H,4-5,8-16,18H2,1-3H3
InChIKeySCOQTJIVOVOQSY-UHFFFAOYSA-N
XLogP2.64
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.66
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanone with MolForge

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Related Compounds

5-[3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione
CID 3243195
[1-(azepan-1-ylsulfonyl)piperidin-3-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 20911317
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanone
CID 2210340
[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone
CID 27151971
[1-(2,5-dimethylphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 49457529
[4-(2,5-dimethylphenyl)piperazin-1-yl]-[(3R)-1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-3-yl]methanone
CID 93065582
[(3S)-1-benzylsulfonylpiperidin-3-yl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone
CID 92641361
N-[(3-methylphenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 20887286
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[(3S)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidin-3-yl]methanone
CID 92689521
(4-methylpiperidin-1-yl)-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanone
CID 3690578
(3S)-N,N-dimethyl-3-(4-methylpiperidine-1-carbonyl)piperidine-1-sulfonamide
CID 94013163
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[(3S)-1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]methanone
CID 95073333

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanone?
The IUPAC name of [4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanone (CID 46276241) is [4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanone.
What is the SMILES notation for [4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanone?
The canonical SMILES for [4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanone is Cc1ccc(C)c(N2CCN(C(=O)C3CCCN(S(=O)(=O)N4CCC(C)CC4)C3)CC2)c1.
What is the InChIKey of [4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanone?
The InChIKey is SCOQTJIVOVOQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O3S/c1-19-8-11-27(12-9-19)32(30,31)28-10-4-5-22(18-28)24(29)26-15-13-25(14-16-26)23-17-20(2)6-7-21(23)3/h6-7,17,19,22H,4-5,8-16,18H2,1-3H3.
What are the key properties of [4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanone?
[4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanone has a molecular weight of 462.66 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanone is sourced from PubChem (CID 46276241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).