[1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone

C23H32N4O3S — CID 53028420

IUPAC[1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N1CCC(C(=O)N2CCC(C)CC2)CC1
InChIInChI=1S/C23H32N4O3S/c1-17-9-13-25(14-10-17)23(28)20-11-15-26(16-12-20)31(29,30)22-18(2)24-27(19(22)3)21-7-5-4-6-8-21/h4-8,17,20H,9-16H2,1-3H3
InChIKeyIGXZCDQYLWNRKH-UHFFFAOYSA-N
MW444.60 g/mol
LogP3.15
Rot. Bonds4

About [1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone

[1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 53028420) has the molecular formula C23H32N4O3S and a molecular weight of 444.60 g/mol. Its IUPAC name is [1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID53028420
Molecular FormulaC23H32N4O3S
Molecular Weight444.60 g/mol
Exact Mass444.22
IUPAC Name[1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N1CCC(C(=O)N2CCC(C)CC2)CC1
InChIInChI=1S/C23H32N4O3S/c1-17-9-13-25(14-10-17)23(28)20-11-15-26(16-12-20)31(29,30)22-18(2)24-27(19(22)3)21-7-5-4-6-8-21/h4-8,17,20H,9-16H2,1-3H3
InChIKeyIGXZCDQYLWNRKH-UHFFFAOYSA-N
XLogP3.15
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cyclohexyl-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]methanone
CID 16896655
N-(3-chloro-4-methylphenyl)-1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53075988
[1-(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 20892732
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 53075975
N-(3-acetylphenyl)-1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53076000
1-(benzenesulfonyl)-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperazine;hydrochloride
CID 90483064
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 53075955
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
CID 53076020
(4-methylpiperidin-1-yl)-[1-(2,4,6-trichlorophenyl)sulfonylpiperidin-4-yl]methanone
CID 55873374
[4-(1-benzyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-cyclopentylmethanone
CID 53078717
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(3-methylpiperidine-1-carbonyl)piperidine-1-carboxamide
CID 78874746
cyclopentyl-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]methanone
CID 90506616

Frequently Asked Questions

What is the IUPAC name of [1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone (CID 53028420) is [1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone is Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N1CCC(C(=O)N2CCC(C)CC2)CC1.
What is the InChIKey of [1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is IGXZCDQYLWNRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3S/c1-17-9-13-25(14-10-17)23(28)20-11-15-26(16-12-20)31(29,30)22-18(2)24-27(19(22)3)21-7-5-4-6-8-21/h4-8,17,20H,9-16H2,1-3H3.
What are the key properties of [1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
[1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 444.60 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 53028420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).