(3R)-1-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidine-3-carboxylic acid

C17H24N2O3 — CID 39432909

IUPAC(3R)-1-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidine-3-carboxylic acid
SMILESCCN(Cc1ccccc1)C(=O)CN1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C17H24N2O3/c1-2-19(11-14-7-4-3-5-8-14)16(20)13-18-10-6-9-15(12-18)17(21)22/h3-5,7-8,15H,2,6,9-13H2,1H3,(H,21,22)/t15-/m1/s1
InChIKeyWWYRKJITMDRSEN-OAHLLOKOSA-N
MW304.39 g/mol
LogP1.83
Rot. Bonds6

About (3R)-1-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidine-3-carboxylic acid

(3R)-1-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidine-3-carboxylic acid (PubChem CID 39432909) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is (3R)-1-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidine-3-carboxylic acid
PubChem CID39432909
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name(3R)-1-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidine-3-carboxylic acid
SMILESCCN(Cc1ccccc1)C(=O)CN1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C17H24N2O3/c1-2-19(11-14-7-4-3-5-8-14)16(20)13-18-10-6-9-15(12-18)17(21)22/h3-5,7-8,15H,2,6,9-13H2,1H3,(H,21,22)/t15-/m1/s1
InChIKeyWWYRKJITMDRSEN-OAHLLOKOSA-N
XLogP1.83
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-1-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidine-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

1-[2-[benzyl(ethyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63032577
2-(azepan-1-yl)-N-benzyl-N-ethylacetamide
CID 108998993
1-[2-(diethylamino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 43385879
(3S)-1-[2-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxoethyl]piperidine-3-carboxamide
CID 8545424
N-benzyl-N-ethyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963793
N-benzyl-N-ethyl-2-(4-hydroxypiperidin-1-yl)acetamide
CID 60674374
N-benzyl-1-[[4-[[3-[benzyl(ethyl)carbamoyl]piperidin-1-yl]methyl]phenyl]methyl]-N-ethylpiperidine-3-carboxamide;hydrobromide
CID 67856003
N-benzyl-2-(4-benzylpiperidin-1-yl)-N-ethylacetamide
CID 108998987
N-benzyl-N-ethyl-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119922495
N-benzyl-N-methyl-2-(3-methylpiperidin-1-yl)acetamide
CID 108997429
1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904711
N-benzyl-N-ethylcyclobutanecarboxamide
CID 110755489

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidine-3-carboxylic acid (CID 39432909) is (3R)-1-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidine-3-carboxylic acid is CCN(Cc1ccccc1)C(=O)CN1CCC[C@@H](C(=O)O)C1.
What is the InChIKey of (3R)-1-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidine-3-carboxylic acid?
The InChIKey is WWYRKJITMDRSEN-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-2-19(11-14-7-4-3-5-8-14)16(20)13-18-10-6-9-15(12-18)17(21)22/h3-5,7-8,15H,2,6,9-13H2,1H3,(H,21,22)/t15-/m1/s1.
What are the key properties of (3R)-1-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidine-3-carboxylic acid?
(3R)-1-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidine-3-carboxylic acid has a molecular weight of 304.39 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-[benzyl(ethyl)amino]-2-oxoethyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 39432909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).