[3-(4-benzylpiperazin-1-yl)sulfonylphenyl]-(4-methylpiperidin-1-yl)methanone

C24H31N3O3S — CID 29262036

IUPAC[3-(4-benzylpiperazin-1-yl)sulfonylphenyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)c2)CC1
InChIInChI=1S/C24H31N3O3S/c1-20-10-12-26(13-11-20)24(28)22-8-5-9-23(18-22)31(29,30)27-16-14-25(15-17-27)19-21-6-3-2-4-7-21/h2-9,18,20H,10-17,19H2,1H3
InChIKeyMBMQZMCYCVREPN-UHFFFAOYSA-N
MW441.60 g/mol
LogP3.07
Rot. Bonds5

About [3-(4-benzylpiperazin-1-yl)sulfonylphenyl]-(4-methylpiperidin-1-yl)methanone

[3-(4-benzylpiperazin-1-yl)sulfonylphenyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 29262036) has the molecular formula C24H31N3O3S and a molecular weight of 441.60 g/mol. Its IUPAC name is [3-(4-benzylpiperazin-1-yl)sulfonylphenyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(4-benzylpiperazin-1-yl)sulfonylphenyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID29262036
Molecular FormulaC24H31N3O3S
Molecular Weight441.60 g/mol
Exact Mass441.21
IUPAC Name[3-(4-benzylpiperazin-1-yl)sulfonylphenyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)c2)CC1
InChIInChI=1S/C24H31N3O3S/c1-20-10-12-26(13-11-20)24(28)22-8-5-9-23(18-22)31(29,30)27-16-14-25(15-17-27)19-21-6-3-2-4-7-21/h2-9,18,20H,10-17,19H2,1H3
InChIKeyMBMQZMCYCVREPN-UHFFFAOYSA-N
XLogP3.07
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.60
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-benzylpiperazin-1-yl)-[3-bromo-5-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 4000795
[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 126191918
methyl 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate
CID 31699946
[4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 43920450
[4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]phenyl]-(4-benzylpiperazin-1-yl)methanone
CID 43922265
3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 43917996
4-[3-(4-methylpiperidin-1-yl)sulfonylbenzoyl]piperazine-1-carbaldehyde
CID 109063450
(4-benzylpiperazin-1-yl)-[2-methoxy-5-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 28591235
N-benzyl-3-(4-benzylpiperazin-1-yl)sulfonyl-N-methylbenzamide
CID 39230100
3-(4-benzylpiperazin-1-yl)sulfonyl-N-cyclopropyl-N-(2-methylpropyl)benzamide
CID 55608837
[4-(benzenesulfonyl)piperazin-1-yl]-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone
CID 55339492
3-(4-benzylpiperazine-1-carbonyl)-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 27671245

Frequently Asked Questions

What is the IUPAC name of [3-(4-benzylpiperazin-1-yl)sulfonylphenyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [3-(4-benzylpiperazin-1-yl)sulfonylphenyl]-(4-methylpiperidin-1-yl)methanone (CID 29262036) is [3-(4-benzylpiperazin-1-yl)sulfonylphenyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-(4-benzylpiperazin-1-yl)sulfonylphenyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [3-(4-benzylpiperazin-1-yl)sulfonylphenyl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)c2)CC1.
What is the InChIKey of [3-(4-benzylpiperazin-1-yl)sulfonylphenyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is MBMQZMCYCVREPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3S/c1-20-10-12-26(13-11-20)24(28)22-8-5-9-23(18-22)31(29,30)27-16-14-25(15-17-27)19-21-6-3-2-4-7-21/h2-9,18,20H,10-17,19H2,1H3.
What are the key properties of [3-(4-benzylpiperazin-1-yl)sulfonylphenyl]-(4-methylpiperidin-1-yl)methanone?
[3-(4-benzylpiperazin-1-yl)sulfonylphenyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 441.60 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-benzylpiperazin-1-yl)sulfonylphenyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 29262036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).