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

C19H28N2O4 — CID 119907220

IUPAC1-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]piperidine-4-carboxylic acid
SMILESCC(OCCCNC(=O)CN1CCC(C(=O)O)CC1)c1ccccc1
InChIInChI=1S/C19H28N2O4/c1-15(16-6-3-2-4-7-16)25-13-5-10-20-18(22)14-21-11-8-17(9-12-21)19(23)24/h2-4,6-7,15,17H,5,8-14H2,1H3,(H,20,22)(H,23,24)
InChIKeyZCPBGAMFNHDKBC-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.07
Rot. Bonds9

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

1-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]piperidine-4-carboxylic acid (PubChem CID 119907220) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 1-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]piperidine-4-carboxylic acid
PubChem CID119907220
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name1-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]piperidine-4-carboxylic acid
SMILESCC(OCCCNC(=O)CN1CCC(C(=O)O)CC1)c1ccccc1
InChIInChI=1S/C19H28N2O4/c1-15(16-6-3-2-4-7-16)25-13-5-10-20-18(22)14-21-11-8-17(9-12-21)19(23)24/h2-4,6-7,15,17H,5,8-14H2,1H3,(H,20,22)(H,23,24)
InChIKeyZCPBGAMFNHDKBC-UHFFFAOYSA-N
XLogP2.07
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-oxo-2-[3-(1-phenylethoxy)propylamino]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

1-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907219
methyl 1-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]piperidine-4-carboxylate
CID 87012839
2-(4-cyclohexyloxypiperidin-1-yl)-N-[3-(1-phenylethoxy)propyl]acetamide
CID 86873846
2-(3-acetamidopiperidin-1-yl)-N-[3-(1-phenylethoxy)propyl]acetamide
CID 87017788
1-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 63032025
1-[2-oxo-2-(3-phenylpropylamino)ethyl]piperidine-4-carboxylic acid
CID 119908236
1-[4-[[N'-methyl-N-[3-(1-phenylethoxy)propyl]carbamimidoyl]amino]butyl]piperidine-4-carboxamide
CID 111403261
1-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 119908123
methyl 1-[N'-methyl-N-[3-(1-phenylethoxy)propyl]carbamimidoyl]piperidine-4-carboxylate
CID 111254519
2-(methylamino)-N-[3-(1-phenylethoxy)propyl]acetamide;hydrochloride
CID 119693834
ethyl 3-[3-(1-phenylethoxy)propylcarbamoyl]piperidine-1-carboxylate
CID 134048726
1-(1,3-benzoxazol-2-yl)-N-[3-(1-phenylethoxy)propyl]piperidine-4-carboxamide
CID 24654958

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]piperidine-4-carboxylic acid (CID 119907220) is 1-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]piperidine-4-carboxylic acid is CC(OCCCNC(=O)CN1CCC(C(=O)O)CC1)c1ccccc1.
What is the InChIKey of 1-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]piperidine-4-carboxylic acid?
The InChIKey is ZCPBGAMFNHDKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-15(16-6-3-2-4-7-16)25-13-5-10-20-18(22)14-21-11-8-17(9-12-21)19(23)24/h2-4,6-7,15,17H,5,8-14H2,1H3,(H,20,22)(H,23,24).
What are the key properties of 1-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]piperidine-4-carboxylic acid?
1-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]piperidine-4-carboxylic acid has a molecular weight of 348.44 g/mol, XLogP of 2.07, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119907220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).