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

C23H29N3O4S — CID 1297523

IUPAC[4-(2-methoxyphenyl)piperazin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1
InChIInChI=1S/C23H29N3O4S/c1-30-22-8-4-3-7-21(22)24-15-17-25(18-16-24)23(27)19-9-11-20(12-10-19)31(28,29)26-13-5-2-6-14-26/h3-4,7-12H,2,5-6,13-18H2,1H3
InChIKeyHEQZKIBJTUEGCD-UHFFFAOYSA-N
MW443.57 g/mol
LogP2.83
Rot. Bonds5

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

[4-(2-methoxyphenyl)piperazin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone (PubChem CID 1297523) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)piperazin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)piperazin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone
PubChem CID1297523
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC Name[4-(2-methoxyphenyl)piperazin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1
InChIInChI=1S/C23H29N3O4S/c1-30-22-8-4-3-7-21(22)24-15-17-25(18-16-24)23(27)19-9-11-20(12-10-19)31(28,29)26-13-5-2-6-14-26/h3-4,7-12H,2,5-6,13-18H2,1H3
InChIKeyHEQZKIBJTUEGCD-UHFFFAOYSA-N
XLogP2.83
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(2-methoxyphenyl)piperazin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Mazapertine
CID 60820
1-{4-[(1-Cyclobutyl-4-piperidinyl)oxy]phenyl}4-{[4-(methylsulfonyl)phenyl]carbonyl}piperazine
CID 11533362
4-(((2-Methoxyphenyl)methylamino)sulfonyl)benzoic acid
CID 2360199
3-[1-[4-(1,1,3-Trioxo-1,2-benzothiazol-2-yl)butyl]piperidin-4-yl]-1,3-benzoxazol-2-one
CID 19085866
3-[1-[4-(5-Methyl-1,1,3-trioxo-1,2-benzothiazol-2-yl)butyl]piperidin-4-yl]-1,3-benzoxazol-2-one
CID 19085926
(4-Methoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 722098
N-(2-methoxyphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2083341
N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl}benzamide
CID 13318464
N-(2-Methoxy-phenyl)-N-(2-oxo-2-piperidin-1-yl-ethyl)-benzenesulfonamide
CID 651524
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-4-methylbenzenesulfonamide
CID 398712
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-(4-methylsulfonylphenyl)benzamide
CID 10052433
2-[6-[4-(2-Methoxyphenyl)piperazin-1-yl]hexyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 155554326

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone?
The IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone (CID 1297523) is [4-(2-methoxyphenyl)piperazin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone.
What is the SMILES notation for [4-(2-methoxyphenyl)piperazin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone?
The canonical SMILES for [4-(2-methoxyphenyl)piperazin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone is COc1ccccc1N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1.
What is the InChIKey of [4-(2-methoxyphenyl)piperazin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone?
The InChIKey is HEQZKIBJTUEGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-30-22-8-4-3-7-21(22)24-15-17-25(18-16-24)23(27)19-9-11-20(12-10-19)31(28,29)26-13-5-2-6-14-26/h3-4,7-12H,2,5-6,13-18H2,1H3.
What are the key properties of [4-(2-methoxyphenyl)piperazin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone?
[4-(2-methoxyphenyl)piperazin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone has a molecular weight of 443.57 g/mol, XLogP of 2.83, 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-piperidin-1-ylsulfonylphenyl)methanone is sourced from PubChem (CID 1297523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).