3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]butanoic acid

C18H24N2O5 — CID 119347944

IUPAC3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)C1CCCN(C(=O)COc2ccccc2)C1
InChIInChI=1S/C18H24N2O5/c1-13(10-17(22)23)19-18(24)14-6-5-9-20(11-14)16(21)12-25-15-7-3-2-4-8-15/h2-4,7-8,13-14H,5-6,9-12H2,1H3,(H,19,24)(H,22,23)
InChIKeyUHILVNWYQOEDAC-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.28
Rot. Bonds7

About 3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]butanoic acid

3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]butanoic acid (PubChem CID 119347944) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is 3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]butanoic acid
PubChem CID119347944
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)C1CCCN(C(=O)COc2ccccc2)C1
InChIInChI=1S/C18H24N2O5/c1-13(10-17(22)23)19-18(24)14-6-5-9-20(11-14)16(21)12-25-15-7-3-2-4-8-15/h2-4,7-8,13-14H,5-6,9-12H2,1H3,(H,19,24)(H,22,23)
InChIKeyUHILVNWYQOEDAC-UHFFFAOYSA-N
XLogP1.28
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]butanoic 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

3-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]butanoic acid
CID 119221159
N-(2-amino-2-methylpropyl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide;hydrochloride
CID 119626264
N-(1-aminohexan-2-yl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide;hydrochloride
CID 119665267
1-[(3R)-3-methylpiperidin-1-yl]-2-phenoxyethanone
CID 40543103
N-(1-amino-2,3-dimethylbutan-2-yl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide
CID 119605857
N-butan-2-yl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 110673920
1-[3-[4-(methylaminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone;hydrochloride
CID 119543096
cis-(1R,3S)-3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677745
2-phenoxy-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 63241143
3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]butanoic acid
CID 43172733
2-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119225453
1-(2-phenoxyacetyl)-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide
CID 119510299

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]butanoic acid?
The IUPAC name of 3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]butanoic acid (CID 119347944) is 3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]butanoic acid.
What is the SMILES notation for 3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]butanoic acid?
The canonical SMILES for 3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]butanoic acid is CC(CC(=O)O)NC(=O)C1CCCN(C(=O)COc2ccccc2)C1.
What is the InChIKey of 3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]butanoic acid?
The InChIKey is UHILVNWYQOEDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-13(10-17(22)23)19-18(24)14-6-5-9-20(11-14)16(21)12-25-15-7-3-2-4-8-15/h2-4,7-8,13-14H,5-6,9-12H2,1H3,(H,19,24)(H,22,23).
What are the key properties of 3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]butanoic acid?
3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]butanoic acid has a molecular weight of 348.40 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]butanoic acid is sourced from PubChem (CID 119347944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).