(2,3-dimethylpiperazin-1-yl)-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanone

C19H29N3O3S — CID 120572048

IUPAC(2,3-dimethylpiperazin-1-yl)-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)N3CCNC(C)C3C)C2)cc1
InChIInChI=1S/C19H29N3O3S/c1-14-6-8-18(9-7-14)26(24,25)21-11-4-5-17(13-21)19(23)22-12-10-20-15(2)16(22)3/h6-9,15-17,20H,4-5,10-13H2,1-3H3
InChIKeyULHDVMXPJNMOCY-UHFFFAOYSA-N
MW379.53 g/mol
LogP1.60
Rot. Bonds3

About (2,3-dimethylpiperazin-1-yl)-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanone

(2,3-dimethylpiperazin-1-yl)-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanone (PubChem CID 120572048) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is (2,3-dimethylpiperazin-1-yl)-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethylpiperazin-1-yl)-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanone
PubChem CID120572048
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC Name(2,3-dimethylpiperazin-1-yl)-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)N3CCNC(C)C3C)C2)cc1
InChIInChI=1S/C19H29N3O3S/c1-14-6-8-18(9-7-14)26(24,25)21-11-4-5-17(13-21)19(23)22-12-10-20-15(2)16(22)3/h6-9,15-17,20H,4-5,10-13H2,1-3H3
InChIKeyULHDVMXPJNMOCY-UHFFFAOYSA-N
XLogP1.60
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N'-(cyclopentanecarbonyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide
CID 9473935
[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 1090398
[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 3156708
(3S)-N,N-dimethyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 30156240
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-[(3R)-1-methylsulfonylpiperidin-3-yl]methanone
CID 51931000
(3R)-1-(4-methylphenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100664460
ethyl (3R)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 884372
ethyl (3S)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 884371
[3-(aminomethyl)pyrrolidin-1-yl]-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanone;hydrochloride
CID 119485135
(3S)-3-methyl-1-(4-methylphenyl)sulfonylpiperidine
CID 668967
[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 48690592
(3S)-N'-(4-methylbenzoyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide
CID 9473922

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylpiperazin-1-yl)-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanone?
The IUPAC name of (2,3-dimethylpiperazin-1-yl)-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanone (CID 120572048) is (2,3-dimethylpiperazin-1-yl)-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanone.
What is the SMILES notation for (2,3-dimethylpiperazin-1-yl)-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanone?
The canonical SMILES for (2,3-dimethylpiperazin-1-yl)-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanone is Cc1ccc(S(=O)(=O)N2CCCC(C(=O)N3CCNC(C)C3C)C2)cc1.
What is the InChIKey of (2,3-dimethylpiperazin-1-yl)-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanone?
The InChIKey is ULHDVMXPJNMOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-14-6-8-18(9-7-14)26(24,25)21-11-4-5-17(13-21)19(23)22-12-10-20-15(2)16(22)3/h6-9,15-17,20H,4-5,10-13H2,1-3H3.
What are the key properties of (2,3-dimethylpiperazin-1-yl)-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanone?
(2,3-dimethylpiperazin-1-yl)-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanone has a molecular weight of 379.53 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylpiperazin-1-yl)-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanone is sourced from PubChem (CID 120572048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).