2-[[4-fluoro-3-[4-(1-methylpiperidin-4-yl)sulfinylpiperazine-1-carbonyl]phenyl]methoxy]benzamide

C25H31FN4O4S — CID 11649061

IUPAC2-[[4-fluoro-3-[4-(1-methylpiperidin-4-yl)sulfinylpiperazine-1-carbonyl]phenyl]methoxy]benzamide
SMILESCN1CCC(S(=O)N2CCN(C(=O)c3cc(COc4ccccc4C(N)=O)ccc3F)CC2)CC1
InChIInChI=1S/C25H31FN4O4S/c1-28-10-8-19(9-11-28)35(33)30-14-12-29(13-15-30)25(32)21-16-18(6-7-22(21)26)17-34-23-5-3-2-4-20(23)24(27)31/h2-7,16,19H,8-15,17H2,1H3,(H2,27,31)
InChIKeyWSHJOXUTZSVLCH-UHFFFAOYSA-N
MW502.61 g/mol
LogP2.02
Rot. Bonds7

About 2-[[4-fluoro-3-[4-(1-methylpiperidin-4-yl)sulfinylpiperazine-1-carbonyl]phenyl]methoxy]benzamide

2-[[4-fluoro-3-[4-(1-methylpiperidin-4-yl)sulfinylpiperazine-1-carbonyl]phenyl]methoxy]benzamide (PubChem CID 11649061) has the molecular formula C25H31FN4O4S and a molecular weight of 502.61 g/mol. Its IUPAC name is 2-[[4-fluoro-3-[4-(1-methylpiperidin-4-yl)sulfinylpiperazine-1-carbonyl]phenyl]methoxy]benzamide.

Molecular Properties

Compound Name2-[[4-fluoro-3-[4-(1-methylpiperidin-4-yl)sulfinylpiperazine-1-carbonyl]phenyl]methoxy]benzamide
PubChem CID11649061
Molecular FormulaC25H31FN4O4S
Molecular Weight502.61 g/mol
Exact Mass502.21
IUPAC Name2-[[4-fluoro-3-[4-(1-methylpiperidin-4-yl)sulfinylpiperazine-1-carbonyl]phenyl]methoxy]benzamide
SMILESCN1CCC(S(=O)N2CCN(C(=O)c3cc(COc4ccccc4C(N)=O)ccc3F)CC2)CC1
InChIInChI=1S/C25H31FN4O4S/c1-28-10-8-19(9-11-28)35(33)30-14-12-29(13-15-30)25(32)21-16-18(6-7-22(21)26)17-34-23-5-3-2-4-20(23)24(27)31/h2-7,16,19H,8-15,17H2,1H3,(H2,27,31)
InChIKeyWSHJOXUTZSVLCH-UHFFFAOYSA-N
XLogP2.02
TPSA96.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.61
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[4-fluoro-3-[4-(1-methylpiperidin-4-yl)sulfinylpiperazine-1-carbonyl]phenyl]methoxy]benzamide 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

2-[2-[4-fluoro-3-[4-(2-phenoxypropanoyl)piperazine-1-carbonyl]phenyl]ethoxy]benzamide
CID 25218494
4-[5-[(2-carbamoyl-6-methylphenoxy)methyl]-2-fluorobenzoyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 11692122
(4-aminopiperidin-1-yl)-[2-[(4-fluorophenyl)methoxy]phenyl]methanone;hydrochloride
CID 119373858
(4-chlorophenyl)-[4-[2-[(4-fluorophenyl)methoxy]benzoyl]piperazin-1-yl]methanone
CID 46550478
1-[4-[2-[(4-fluorophenyl)methoxy]benzoyl]-1,4-diazepan-1-yl]ethanone
CID 134039062
[4-(2-chlorobenzoyl)piperazin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone
CID 31307424
methyl 1-[2-[(4-fluorophenyl)methoxy]benzoyl]piperidine-4-carboxylate
CID 51153897
[4-(2,4-difluorophenoxy)piperidin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone
CID 112836609
tert-butyl 4-[5-[(2-carbamoylphenoxy)methyl]-2-fluorobenzoyl]piperazine-1-carboxylate;5-[(2-carbamoylphenoxy)methyl]-2-fluorobenzoic acid;2-fluoro-5-formylbenzonitrile;2-fluoro-5-(hydroxymethyl)benzoic acid;2-fluoro-5-(hydroxymethyl)benzonitrile;methyl 5-[(2-carbamoylphenoxy)methyl]-2-fluorobenzoate;methyl 2-fluoro-5-(hydroxymethyl)benzoate
CID 162165310
[2-[(4-chlorophenyl)methoxy]phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119545027
2-[[3-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl]phenyl]methoxy]benzamide
CID 167933828
[(3R)-3-aminopyrrolidin-1-yl]-[2-[(4-chlorophenyl)methoxy]phenyl]methanone
CID 119411536

Frequently Asked Questions

What is the IUPAC name of 2-[[4-fluoro-3-[4-(1-methylpiperidin-4-yl)sulfinylpiperazine-1-carbonyl]phenyl]methoxy]benzamide?
The IUPAC name of 2-[[4-fluoro-3-[4-(1-methylpiperidin-4-yl)sulfinylpiperazine-1-carbonyl]phenyl]methoxy]benzamide (CID 11649061) is 2-[[4-fluoro-3-[4-(1-methylpiperidin-4-yl)sulfinylpiperazine-1-carbonyl]phenyl]methoxy]benzamide.
What is the SMILES notation for 2-[[4-fluoro-3-[4-(1-methylpiperidin-4-yl)sulfinylpiperazine-1-carbonyl]phenyl]methoxy]benzamide?
The canonical SMILES for 2-[[4-fluoro-3-[4-(1-methylpiperidin-4-yl)sulfinylpiperazine-1-carbonyl]phenyl]methoxy]benzamide is CN1CCC(S(=O)N2CCN(C(=O)c3cc(COc4ccccc4C(N)=O)ccc3F)CC2)CC1.
What is the InChIKey of 2-[[4-fluoro-3-[4-(1-methylpiperidin-4-yl)sulfinylpiperazine-1-carbonyl]phenyl]methoxy]benzamide?
The InChIKey is WSHJOXUTZSVLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN4O4S/c1-28-10-8-19(9-11-28)35(33)30-14-12-29(13-15-30)25(32)21-16-18(6-7-22(21)26)17-34-23-5-3-2-4-20(23)24(27)31/h2-7,16,19H,8-15,17H2,1H3,(H2,27,31).
What are the key properties of 2-[[4-fluoro-3-[4-(1-methylpiperidin-4-yl)sulfinylpiperazine-1-carbonyl]phenyl]methoxy]benzamide?
2-[[4-fluoro-3-[4-(1-methylpiperidin-4-yl)sulfinylpiperazine-1-carbonyl]phenyl]methoxy]benzamide has a molecular weight of 502.61 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-fluoro-3-[4-(1-methylpiperidin-4-yl)sulfinylpiperazine-1-carbonyl]phenyl]methoxy]benzamide is sourced from PubChem (CID 11649061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).