1-[2-[(2-anilinobenzoyl)-methylamino]acetyl]piperidine-4-carboxylic acid

C22H25N3O4 — CID 119236397

IUPAC1-[2-[(2-anilinobenzoyl)-methylamino]acetyl]piperidine-4-carboxylic acid
SMILESCN(CC(=O)N1CCC(C(=O)O)CC1)C(=O)c1ccccc1Nc1ccccc1
InChIInChI=1S/C22H25N3O4/c1-24(15-20(26)25-13-11-16(12-14-25)22(28)29)21(27)18-9-5-6-10-19(18)23-17-7-3-2-4-8-17/h2-10,16,23H,11-15H2,1H3,(H,28,29)
InChIKeyVHFCSAQJJLKNPW-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.83
Rot. Bonds6

About 1-[2-[(2-anilinobenzoyl)-methylamino]acetyl]piperidine-4-carboxylic acid

1-[2-[(2-anilinobenzoyl)-methylamino]acetyl]piperidine-4-carboxylic acid (PubChem CID 119236397) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 1-[2-[(2-anilinobenzoyl)-methylamino]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(2-anilinobenzoyl)-methylamino]acetyl]piperidine-4-carboxylic acid
PubChem CID119236397
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name1-[2-[(2-anilinobenzoyl)-methylamino]acetyl]piperidine-4-carboxylic acid
SMILESCN(CC(=O)N1CCC(C(=O)O)CC1)C(=O)c1ccccc1Nc1ccccc1
InChIInChI=1S/C22H25N3O4/c1-24(15-20(26)25-13-11-16(12-14-25)22(28)29)21(27)18-9-5-6-10-19(18)23-17-7-3-2-4-8-17/h2-10,16,23H,11-15H2,1H3,(H,28,29)
InChIKeyVHFCSAQJJLKNPW-UHFFFAOYSA-N
XLogP2.83
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[methyl-(2-propan-2-yloxybenzoyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119236371
1-[2-[furan-2-carbonyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
CID 43354178
1-[2-[(5-bromo-2-methylbenzoyl)-methylamino]acetyl]piperidine-4-carboxylic acid
CID 119236165
1-[2-[methyl(phenylmethoxycarbonyl)amino]acetyl]piperidine-4-carboxylic acid
CID 156620036
1-[2-[methyl-(4-methylsulfanylbenzoyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119236330
1-[2-[methyl-(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119235812
1-[2-[(3-bromofuran-2-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid
CID 120525575
1-[2-[methyl-[4-(methylsulfamoyl)benzoyl]amino]acetyl]piperidine-4-carboxylic acid
CID 119235772
1-[2-[methyl-(2-phenyl-1,3-oxazole-4-carbonyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119235918
1-[2-[methyl-(2-phenyl-1,3-thiazole-4-carbonyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119235762
1-[2-(N,2-dimethylanilino)acetyl]piperidine-4-carboxylic acid
CID 62657444
1-[2-[(3,5-dimethoxybenzoyl)-methylamino]acetyl]piperidine-4-carboxylic acid
CID 119236084

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-anilinobenzoyl)-methylamino]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[(2-anilinobenzoyl)-methylamino]acetyl]piperidine-4-carboxylic acid (CID 119236397) is 1-[2-[(2-anilinobenzoyl)-methylamino]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(2-anilinobenzoyl)-methylamino]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[(2-anilinobenzoyl)-methylamino]acetyl]piperidine-4-carboxylic acid is CN(CC(=O)N1CCC(C(=O)O)CC1)C(=O)c1ccccc1Nc1ccccc1.
What is the InChIKey of 1-[2-[(2-anilinobenzoyl)-methylamino]acetyl]piperidine-4-carboxylic acid?
The InChIKey is VHFCSAQJJLKNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-24(15-20(26)25-13-11-16(12-14-25)22(28)29)21(27)18-9-5-6-10-19(18)23-17-7-3-2-4-8-17/h2-10,16,23H,11-15H2,1H3,(H,28,29).
What are the key properties of 1-[2-[(2-anilinobenzoyl)-methylamino]acetyl]piperidine-4-carboxylic acid?
1-[2-[(2-anilinobenzoyl)-methylamino]acetyl]piperidine-4-carboxylic acid has a molecular weight of 395.46 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-anilinobenzoyl)-methylamino]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119236397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).