[2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-6-methyl-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone

C24H31FN4O3S — CID 42868215

IUPAC[2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-6-methyl-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCN(C)CC2)c(C2CCN(S(=O)(=O)c3ccc(C)c(F)c3)CC2)n1
InChIInChI=1S/C24H31FN4O3S/c1-17-4-6-20(16-22(17)25)33(31,32)29-10-8-19(9-11-29)23-21(7-5-18(2)26-23)24(30)28-14-12-27(3)13-15-28/h4-7,16,19H,8-15H2,1-3H3
InChIKeyOPWAIOYEBZRUKX-UHFFFAOYSA-N
MW474.60 g/mol
LogP2.79
Rot. Bonds4

About [2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-6-methyl-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone

[2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-6-methyl-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 42868215) has the molecular formula C24H31FN4O3S and a molecular weight of 474.60 g/mol. Its IUPAC name is [2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-6-methyl-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-6-methyl-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID42868215
Molecular FormulaC24H31FN4O3S
Molecular Weight474.60 g/mol
Exact Mass474.21
IUPAC Name[2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-6-methyl-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCN(C)CC2)c(C2CCN(S(=O)(=O)c3ccc(C)c(F)c3)CC2)n1
InChIInChI=1S/C24H31FN4O3S/c1-17-4-6-20(16-22(17)25)33(31,32)29-10-8-19(9-11-29)23-21(7-5-18(2)26-23)24(30)28-14-12-27(3)13-15-28/h4-7,16,19H,8-15H2,1-3H3
InChIKeyOPWAIOYEBZRUKX-UHFFFAOYSA-N
XLogP2.79
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.60
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-6-methyl-N-(1-phenylethyl)pyridine-3-carboxamide
CID 42868186
2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-6-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridine-3-carboxamide
CID 42868192
1-[4-[2-[1-(benzenesulfonyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 42867461
[2-[1-(benzenesulfonyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 46068578
[4-(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 55880293
2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 42868204
(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291700
[2-methyl-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 99969007
2-[(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylquinoline-4-carboxamide
CID 92638686
(3-fluorophenyl)-[4-[6-methyl-3-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 42852061
2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-6-methyl-N-(1-phenylethyl)pyridine-3-carboxamide
CID 42868185
(4-chlorophenyl)-[4-[6-methyl-3-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 42852078

Frequently Asked Questions

What is the IUPAC name of [2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-6-methyl-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-6-methyl-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone (CID 42868215) is [2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-6-methyl-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-6-methyl-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-6-methyl-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone is Cc1ccc(C(=O)N2CCN(C)CC2)c(C2CCN(S(=O)(=O)c3ccc(C)c(F)c3)CC2)n1.
What is the InChIKey of [2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-6-methyl-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is OPWAIOYEBZRUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O3S/c1-17-4-6-20(16-22(17)25)33(31,32)29-10-8-19(9-11-29)23-21(7-5-18(2)26-23)24(30)28-14-12-27(3)13-15-28/h4-7,16,19H,8-15H2,1-3H3.
What are the key properties of [2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-6-methyl-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
[2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-6-methyl-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 474.60 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-6-methyl-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 42868215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).