1-[[3-ethyl-5-[(4-fluorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxylic acid

C22H25FN2O3 — CID 140698445

IUPAC1-[[3-ethyl-5-[(4-fluorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxylic acid
SMILESCCc1cc(CN2CCC(C(=O)O)CC2)cc(NC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C22H25FN2O3/c1-2-15-11-16(14-25-9-7-18(8-10-25)22(27)28)13-20(12-15)24-21(26)17-3-5-19(23)6-4-17/h3-6,11-13,18H,2,7-10,14H2,1H3,(H,24,26)(H,27,28)
InChIKeyQXXLPQSAIYWTPO-UHFFFAOYSA-N
MW384.45 g/mol
LogP3.94
Rot. Bonds6

About 1-[[3-ethyl-5-[(4-fluorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxylic acid

1-[[3-ethyl-5-[(4-fluorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxylic acid (PubChem CID 140698445) has the molecular formula C22H25FN2O3 and a molecular weight of 384.45 g/mol. Its IUPAC name is 1-[[3-ethyl-5-[(4-fluorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[3-ethyl-5-[(4-fluorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxylic acid
PubChem CID140698445
Molecular FormulaC22H25FN2O3
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC Name1-[[3-ethyl-5-[(4-fluorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxylic acid
SMILESCCc1cc(CN2CCC(C(=O)O)CC2)cc(NC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C22H25FN2O3/c1-2-15-11-16(14-25-9-7-18(8-10-25)22(27)28)13-20(12-15)24-21(26)17-3-5-19(23)6-4-17/h3-6,11-13,18H,2,7-10,14H2,1H3,(H,24,26)(H,27,28)
InChIKeyQXXLPQSAIYWTPO-UHFFFAOYSA-N
XLogP3.94
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[3-ethyl-5-[(4-fluorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxylic acid 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

1-[(4-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 4641825
1-[(3-fluoro-5-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 4022885
1-[[3-[(4-methylsulfanylbenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide
CID 78901666
dimethyl 5-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzene-1,3-dicarboxylate
CID 92676048
N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45019225
4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoic acid
CID 46772046
1-[[3-[[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 55768192
4-[2-[(4-fluorobenzoyl)amino]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]benzimidazol-1-yl]cyclohexane-1-carboxylic acid
CID 66728738
4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N-(4-methylphenyl)benzamide
CID 42850972
1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]piperidine-4-carboxylic acid
CID 82163378
N-(3-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)benzamide
CID 19062870
5-[(4-ethylbenzoyl)amino]-N-[(4-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)benzamide
CID 4288926

Frequently Asked Questions

What is the IUPAC name of 1-[[3-ethyl-5-[(4-fluorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[3-ethyl-5-[(4-fluorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxylic acid (CID 140698445) is 1-[[3-ethyl-5-[(4-fluorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[3-ethyl-5-[(4-fluorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[3-ethyl-5-[(4-fluorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxylic acid is CCc1cc(CN2CCC(C(=O)O)CC2)cc(NC(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 1-[[3-ethyl-5-[(4-fluorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxylic acid?
The InChIKey is QXXLPQSAIYWTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3/c1-2-15-11-16(14-25-9-7-18(8-10-25)22(27)28)13-20(12-15)24-21(26)17-3-5-19(23)6-4-17/h3-6,11-13,18H,2,7-10,14H2,1H3,(H,24,26)(H,27,28).
What are the key properties of 1-[[3-ethyl-5-[(4-fluorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxylic acid?
1-[[3-ethyl-5-[(4-fluorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxylic acid has a molecular weight of 384.45 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-ethyl-5-[(4-fluorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 140698445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).