1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(2-methylpiperidin-1-yl)ethanone

C19H29N3O3S — CID 17495380

IUPAC1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(2-methylpiperidin-1-yl)ethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCCCC3C)CC2)cc1
InChIInChI=1S/C19H29N3O3S/c1-16-6-8-18(9-7-16)26(24,25)22-13-11-20(12-14-22)19(23)15-21-10-4-3-5-17(21)2/h6-9,17H,3-5,10-15H2,1-2H3
InChIKeyPBZQMSRHDDKBGM-UHFFFAOYSA-N
MW379.53 g/mol
LogP1.70
Rot. Bonds4

About 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(2-methylpiperidin-1-yl)ethanone

1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(2-methylpiperidin-1-yl)ethanone (PubChem CID 17495380) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(2-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(2-methylpiperidin-1-yl)ethanone
PubChem CID17495380
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC Name1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(2-methylpiperidin-1-yl)ethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCCCC3C)CC2)cc1
InChIInChI=1S/C19H29N3O3S/c1-16-6-8-18(9-7-16)26(24,25)22-13-11-20(12-14-22)19(23)15-21-10-4-3-5-17(21)2/h6-9,17H,3-5,10-15H2,1-2H3
InChIKeyPBZQMSRHDDKBGM-UHFFFAOYSA-N
XLogP1.70
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 8623270
2-[(2R)-2-methylpiperidin-1-yl]-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethanone
CID 8623032
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 8742937
2-[(2S)-2-ethylpiperidin-1-yl]-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 25490815
2-hydroxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 16769203
1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(2-ethylpiperidin-1-yl)ethanone
CID 46614012
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methylpiperidin-1-yl)acetamide
CID 55409696
1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-methylsulfanylethanone
CID 9495863
cyclopentyl-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 38838505
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-1-ylmethanone
CID 849899
2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 25362321
2-amino-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride
CID 119265301

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(2-methylpiperidin-1-yl)ethanone?
The IUPAC name of 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(2-methylpiperidin-1-yl)ethanone (CID 17495380) is 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(2-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(2-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(2-methylpiperidin-1-yl)ethanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCCCC3C)CC2)cc1.
What is the InChIKey of 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(2-methylpiperidin-1-yl)ethanone?
The InChIKey is PBZQMSRHDDKBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-16-6-8-18(9-7-16)26(24,25)22-13-11-20(12-14-22)19(23)15-21-10-4-3-5-17(21)2/h6-9,17H,3-5,10-15H2,1-2H3.
What are the key properties of 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(2-methylpiperidin-1-yl)ethanone?
1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(2-methylpiperidin-1-yl)ethanone has a molecular weight of 379.53 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(2-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 17495380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).