[4-(2-methoxyphenyl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone

C24H31N3O4S — CID 2335095

IUPAC[4-(2-methoxyphenyl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)CC1
InChIInChI=1S/C24H31N3O4S/c1-19-10-11-20(18-23(19)32(29,30)27-12-6-3-7-13-27)24(28)26-16-14-25(15-17-26)21-8-4-5-9-22(21)31-2/h4-5,8-11,18H,3,6-7,12-17H2,1-2H3
InChIKeyHFJSYIGLFZQQKH-UHFFFAOYSA-N
MW457.60 g/mol
LogP3.14
Rot. Bonds5

About [4-(2-methoxyphenyl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone

[4-(2-methoxyphenyl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone (PubChem CID 2335095) has the molecular formula C24H31N3O4S and a molecular weight of 457.60 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
PubChem CID2335095
Molecular FormulaC24H31N3O4S
Molecular Weight457.60 g/mol
Exact Mass457.20
IUPAC Name[4-(2-methoxyphenyl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)CC1
InChIInChI=1S/C24H31N3O4S/c1-19-10-11-20(18-23(19)32(29,30)27-12-6-3-7-13-27)24(28)26-16-14-25(15-17-26)21-8-4-5-9-22(21)31-2/h4-5,8-11,18H,3,6-7,12-17H2,1-2H3
InChIKeyHFJSYIGLFZQQKH-UHFFFAOYSA-N
XLogP3.14
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.60
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2,3-dimethylphenyl)piperazin-1-yl]-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)methanone
CID 18892270
(4-methyl-3-piperidin-1-ylsulfonylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 1070097
(4-chloro-3-morpholin-4-ylsulfonylphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 2207423
[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-1,5-dimethylpyrrol-2-yl]-pyrrolidin-1-ylmethanone
CID 53006313
N-(2,3-dimethylphenyl)-5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-methylbenzenesulfonamide
CID 2226912
4-methoxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid
CID 2456144
1-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperidine-4-carboxylic acid
CID 45426942
(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 24533466
(4-methylpiperazin-4-ium-1-yl)-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
CID 2390804
(3,4-dihydroxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 113199237
[3-(azepan-1-ylsulfonyl)-4-chlorophenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 16644067
2,3-dihydro-1H-inden-5-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 9118183

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone?
The IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone (CID 2335095) is [4-(2-methoxyphenyl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone.
What is the SMILES notation for [4-(2-methoxyphenyl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone?
The canonical SMILES for [4-(2-methoxyphenyl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone is COc1ccccc1N1CCN(C(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)CC1.
What is the InChIKey of [4-(2-methoxyphenyl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone?
The InChIKey is HFJSYIGLFZQQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4S/c1-19-10-11-20(18-23(19)32(29,30)27-12-6-3-7-13-27)24(28)26-16-14-25(15-17-26)21-8-4-5-9-22(21)31-2/h4-5,8-11,18H,3,6-7,12-17H2,1-2H3.
What are the key properties of [4-(2-methoxyphenyl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone?
[4-(2-methoxyphenyl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone has a molecular weight of 457.60 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyphenyl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone is sourced from PubChem (CID 2335095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).