1-[2-oxo-2-(3-phenylpropylamino)ethyl]piperidine-4-carboxylic acid

C17H24N2O3 — CID 119908236

IUPAC1-[2-oxo-2-(3-phenylpropylamino)ethyl]piperidine-4-carboxylic acid
SMILESO=C(CN1CCC(C(=O)O)CC1)NCCCc1ccccc1
InChIInChI=1S/C17H24N2O3/c20-16(13-19-11-8-15(9-12-19)17(21)22)18-10-4-7-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2,(H,18,20)(H,21,22)
InChIKeyYLQRRCULGUNJOB-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.53
Rot. Bonds7

About 1-[2-oxo-2-(3-phenylpropylamino)ethyl]piperidine-4-carboxylic acid

1-[2-oxo-2-(3-phenylpropylamino)ethyl]piperidine-4-carboxylic acid (PubChem CID 119908236) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[2-oxo-2-(3-phenylpropylamino)ethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-(3-phenylpropylamino)ethyl]piperidine-4-carboxylic acid
PubChem CID119908236
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-[2-oxo-2-(3-phenylpropylamino)ethyl]piperidine-4-carboxylic acid
SMILESO=C(CN1CCC(C(=O)O)CC1)NCCCc1ccccc1
InChIInChI=1S/C17H24N2O3/c20-16(13-19-11-8-15(9-12-19)17(21)22)18-10-4-7-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2,(H,18,20)(H,21,22)
InChIKeyYLQRRCULGUNJOB-UHFFFAOYSA-N
XLogP1.53
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[2-oxo-2-(3-phenylpropylamino)ethyl]piperidine-4-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

N-(3-methoxypropyl)-1-[2-oxo-2-(2-phenylethylamino)ethyl]piperidine-4-carboxamide
CID 55909398
1-benzyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 46773938
1-(3-phenylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63032265
N-benzyl-1-[2-(butylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 27107050
1-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]piperidine-4-carboxylic acid
CID 119907220
1-(5-phenylpentylcarbamoyl)piperidine-4-carboxylic acid
CID 122000468
2-(4-formylpiperidin-1-yl)-N-(2-phenylethyl)acetamide
CID 62656271
2-(3-formylpiperidin-1-yl)-N-(3-phenylpropyl)acetamide
CID 62660631
1-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907219
2-(3-methylpiperazin-1-yl)-N-(3-phenylpropyl)acetamide
CID 65449797
tert-butyl 4-[2-oxo-2-(3-phenylpropylamino)ethyl]piperazine-1-carboxylate
CID 34196422
N-(3-phenylpropyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
CID 8720581

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(3-phenylpropylamino)ethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-(3-phenylpropylamino)ethyl]piperidine-4-carboxylic acid (CID 119908236) is 1-[2-oxo-2-(3-phenylpropylamino)ethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-(3-phenylpropylamino)ethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-(3-phenylpropylamino)ethyl]piperidine-4-carboxylic acid is O=C(CN1CCC(C(=O)O)CC1)NCCCc1ccccc1.
What is the InChIKey of 1-[2-oxo-2-(3-phenylpropylamino)ethyl]piperidine-4-carboxylic acid?
The InChIKey is YLQRRCULGUNJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c20-16(13-19-11-8-15(9-12-19)17(21)22)18-10-4-7-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2,(H,18,20)(H,21,22).
What are the key properties of 1-[2-oxo-2-(3-phenylpropylamino)ethyl]piperidine-4-carboxylic acid?
1-[2-oxo-2-(3-phenylpropylamino)ethyl]piperidine-4-carboxylic acid has a molecular weight of 304.39 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(3-phenylpropylamino)ethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119908236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).