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

C22H24N2O4 — CID 120528033

IUPAC1-[4-[(2-ethylbenzoyl)amino]benzoyl]piperidine-4-carboxylic acid
SMILESCCc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C22H24N2O4/c1-2-15-5-3-4-6-19(15)20(25)23-18-9-7-16(8-10-18)21(26)24-13-11-17(12-14-24)22(27)28/h3-10,17H,2,11-14H2,1H3,(H,23,25)(H,27,28)
InChIKeyNKRRJJTWRRLUOM-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.44
Rot. Bonds5

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

1-[4-[(2-ethylbenzoyl)amino]benzoyl]piperidine-4-carboxylic acid (PubChem CID 120528033) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 1-[4-[(2-ethylbenzoyl)amino]benzoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-[(2-ethylbenzoyl)amino]benzoyl]piperidine-4-carboxylic acid
PubChem CID120528033
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name1-[4-[(2-ethylbenzoyl)amino]benzoyl]piperidine-4-carboxylic acid
SMILESCCc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C22H24N2O4/c1-2-15-5-3-4-6-19(15)20(25)23-18-9-7-16(8-10-18)21(26)24-13-11-17(12-14-24)22(27)28/h3-10,17H,2,11-14H2,1H3,(H,23,25)(H,27,28)
InChIKeyNKRRJJTWRRLUOM-UHFFFAOYSA-N
XLogP3.44
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(2-ethoxybenzoyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250641
1-(4-benzamidobenzoyl)piperidine-4-carboxylic acid
CID 94830857
1-[4-[[2-(4-ethylphenyl)acetyl]amino]benzoyl]piperidine-4-carboxylic acid
CID 119250666
2-chloro-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 17179593
1-[4-[(5-chloropyridine-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 120528053
1-[4-[(3-chlorobenzoyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250693
1-[4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250636
N-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide
CID 119647060
2-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 17123959
1-[4-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250648
1-[4-[(3,5-dimethylfuran-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250572
4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119177742

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-ethylbenzoyl)amino]benzoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[4-[(2-ethylbenzoyl)amino]benzoyl]piperidine-4-carboxylic acid (CID 120528033) is 1-[4-[(2-ethylbenzoyl)amino]benzoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[4-[(2-ethylbenzoyl)amino]benzoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[4-[(2-ethylbenzoyl)amino]benzoyl]piperidine-4-carboxylic acid is CCc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC(C(=O)O)CC2)cc1.
What is the InChIKey of 1-[4-[(2-ethylbenzoyl)amino]benzoyl]piperidine-4-carboxylic acid?
The InChIKey is NKRRJJTWRRLUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-2-15-5-3-4-6-19(15)20(25)23-18-9-7-16(8-10-18)21(26)24-13-11-17(12-14-24)22(27)28/h3-10,17H,2,11-14H2,1H3,(H,23,25)(H,27,28).
What are the key properties of 1-[4-[(2-ethylbenzoyl)amino]benzoyl]piperidine-4-carboxylic acid?
1-[4-[(2-ethylbenzoyl)amino]benzoyl]piperidine-4-carboxylic acid has a molecular weight of 380.44 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-ethylbenzoyl)amino]benzoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 120528033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).