1-[4-[[2-(4-ethylphenyl)acetyl]amino]benzoyl]piperidine-4-carboxylic acid

C23H26N2O4 — CID 119250666

IUPAC1-[4-[[2-(4-ethylphenyl)acetyl]amino]benzoyl]piperidine-4-carboxylic acid
SMILESCCc1ccc(CC(=O)Nc2ccc(C(=O)N3CCC(C(=O)O)CC3)cc2)cc1
InChIInChI=1S/C23H26N2O4/c1-2-16-3-5-17(6-4-16)15-21(26)24-20-9-7-18(8-10-20)22(27)25-13-11-19(12-14-25)23(28)29/h3-10,19H,2,11-15H2,1H3,(H,24,26)(H,28,29)
InChIKeyGFIZRFLOCSOLER-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.37
Rot. Bonds6

About 1-[4-[[2-(4-ethylphenyl)acetyl]amino]benzoyl]piperidine-4-carboxylic acid

1-[4-[[2-(4-ethylphenyl)acetyl]amino]benzoyl]piperidine-4-carboxylic acid (PubChem CID 119250666) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 1-[4-[[2-(4-ethylphenyl)acetyl]amino]benzoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-[[2-(4-ethylphenyl)acetyl]amino]benzoyl]piperidine-4-carboxylic acid
PubChem CID119250666
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name1-[4-[[2-(4-ethylphenyl)acetyl]amino]benzoyl]piperidine-4-carboxylic acid
SMILESCCc1ccc(CC(=O)Nc2ccc(C(=O)N3CCC(C(=O)O)CC3)cc2)cc1
InChIInChI=1S/C23H26N2O4/c1-2-16-3-5-17(6-4-16)15-21(26)24-20-9-7-18(8-10-20)22(27)25-13-11-19(12-14-25)23(28)29/h3-10,19H,2,11-15H2,1H3,(H,24,26)(H,28,29)
InChIKeyGFIZRFLOCSOLER-UHFFFAOYSA-N
XLogP3.37
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylphenyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 113006644
1-[4-[(2-ethylbenzoyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 120528033
1-(4-tert-butylbenzoyl)-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 113006650
1-[4-(3-butylsulfanylpropanoylamino)benzoyl]piperidine-4-carboxylic acid
CID 119250568
1-[4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]benzoyl]piperidine-4-carboxylic acid
CID 39080456
2-(4-methylphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
CID 6468250
1-[4-[3-(2-methylpyrazol-3-yl)propanoylamino]benzoyl]piperidine-4-carboxylic acid
CID 120528058
1-[4-[(1-methylcyclopentanecarbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250461
2-(4-chlorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 17173032
1-(4-benzamidobenzoyl)piperidine-4-carboxylic acid
CID 94830857
1-(3,4-dimethylbenzoyl)-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 113006649
1-(cyclopropanecarbonyl)-N-[4-[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]phenyl]piperidine-4-carboxamide
CID 44825596

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(4-ethylphenyl)acetyl]amino]benzoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[4-[[2-(4-ethylphenyl)acetyl]amino]benzoyl]piperidine-4-carboxylic acid (CID 119250666) is 1-[4-[[2-(4-ethylphenyl)acetyl]amino]benzoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[4-[[2-(4-ethylphenyl)acetyl]amino]benzoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[4-[[2-(4-ethylphenyl)acetyl]amino]benzoyl]piperidine-4-carboxylic acid is CCc1ccc(CC(=O)Nc2ccc(C(=O)N3CCC(C(=O)O)CC3)cc2)cc1.
What is the InChIKey of 1-[4-[[2-(4-ethylphenyl)acetyl]amino]benzoyl]piperidine-4-carboxylic acid?
The InChIKey is GFIZRFLOCSOLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-2-16-3-5-17(6-4-16)15-21(26)24-20-9-7-18(8-10-20)22(27)25-13-11-19(12-14-25)23(28)29/h3-10,19H,2,11-15H2,1H3,(H,24,26)(H,28,29).
What are the key properties of 1-[4-[[2-(4-ethylphenyl)acetyl]amino]benzoyl]piperidine-4-carboxylic acid?
1-[4-[[2-(4-ethylphenyl)acetyl]amino]benzoyl]piperidine-4-carboxylic acid has a molecular weight of 394.47 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-(4-ethylphenyl)acetyl]amino]benzoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119250666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).