(2R,3R)-1-(4-benzamidobenzoyl)-2-methylpiperidine-3-carboxylic acid

C21H22N2O4 — CID 122115249

IUPAC(2R,3R)-1-(4-benzamidobenzoyl)-2-methylpiperidine-3-carboxylic acid
SMILESC[C@@H]1[C@H](C(=O)O)CCCN1C(=O)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C21H22N2O4/c1-14-18(21(26)27)8-5-13-23(14)20(25)16-9-11-17(12-10-16)22-19(24)15-6-3-2-4-7-15/h2-4,6-7,9-12,14,18H,5,8,13H2,1H3,(H,22,24)(H,26,27)/t14-,18-/m1/s1
InChIKeyRIQRYPNXHUYYTI-RDTXWAMCSA-N
MW366.42 g/mol
LogP3.26
Rot. Bonds4

About (2R,3R)-1-(4-benzamidobenzoyl)-2-methylpiperidine-3-carboxylic acid

(2R,3R)-1-(4-benzamidobenzoyl)-2-methylpiperidine-3-carboxylic acid (PubChem CID 122115249) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is (2R,3R)-1-(4-benzamidobenzoyl)-2-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-1-(4-benzamidobenzoyl)-2-methylpiperidine-3-carboxylic acid
PubChem CID122115249
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name(2R,3R)-1-(4-benzamidobenzoyl)-2-methylpiperidine-3-carboxylic acid
SMILESC[C@@H]1[C@H](C(=O)O)CCCN1C(=O)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C21H22N2O4/c1-14-18(21(26)27)8-5-13-23(14)20(25)16-9-11-17(12-10-16)22-19(24)15-6-3-2-4-7-15/h2-4,6-7,9-12,14,18H,5,8,13H2,1H3,(H,22,24)(H,26,27)/t14-,18-/m1/s1
InChIKeyRIQRYPNXHUYYTI-RDTXWAMCSA-N
XLogP3.26
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R,3R)-1-(4-benzamidobenzoyl)-2-methylpiperidine-3-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

(2R,3R)-1-[3-[(4-fluorobenzoyl)amino]benzoyl]-2-methylpiperidine-3-carboxylic acid
CID 122115413
1-(4-benzamidobenzoyl)piperidine-2-carboxylic acid
CID 119175893
(2R,3R)-1-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]-2-methylpiperidine-3-carboxylic acid
CID 122116009
1-(4-benzamidobenzoyl)piperidine-4-carboxylic acid
CID 94830857
N-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]benzamide
CID 119436674
N-[4-(azepane-1-carbonyl)phenyl]benzamide
CID 17153241
(2R,3R)-2-methyl-1-(3-methylbenzoyl)piperidine-3-carboxylic acid
CID 122114653
(2S)-1-(4-benzamidobenzoyl)-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 92729848
(2S)-1-(4-benzamidobenzoyl)-N-butylpyrrolidine-2-carboxamide
CID 92729968
(2R,3R)-1-(2-hydroxybenzoyl)-2-methylpiperidine-3-carboxylic acid
CID 122116461
2-methyl-3-N-phenylpiperidine-1,3-dicarboxamide
CID 66701465
3-[1-[4-(phenylcarbamoyl)benzoyl]piperidin-2-yl]propanoic acid
CID 120536874

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-(4-benzamidobenzoyl)-2-methylpiperidine-3-carboxylic acid?
The IUPAC name of (2R,3R)-1-(4-benzamidobenzoyl)-2-methylpiperidine-3-carboxylic acid (CID 122115249) is (2R,3R)-1-(4-benzamidobenzoyl)-2-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for (2R,3R)-1-(4-benzamidobenzoyl)-2-methylpiperidine-3-carboxylic acid?
The canonical SMILES for (2R,3R)-1-(4-benzamidobenzoyl)-2-methylpiperidine-3-carboxylic acid is C[C@@H]1[C@H](C(=O)O)CCCN1C(=O)c1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of (2R,3R)-1-(4-benzamidobenzoyl)-2-methylpiperidine-3-carboxylic acid?
The InChIKey is RIQRYPNXHUYYTI-RDTXWAMCSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-14-18(21(26)27)8-5-13-23(14)20(25)16-9-11-17(12-10-16)22-19(24)15-6-3-2-4-7-15/h2-4,6-7,9-12,14,18H,5,8,13H2,1H3,(H,22,24)(H,26,27)/t14-,18-/m1/s1.
What are the key properties of (2R,3R)-1-(4-benzamidobenzoyl)-2-methylpiperidine-3-carboxylic acid?
(2R,3R)-1-(4-benzamidobenzoyl)-2-methylpiperidine-3-carboxylic acid has a molecular weight of 366.42 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-(4-benzamidobenzoyl)-2-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122115249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).