1-(3-amino-2-phenylpropanoyl)piperidine-3-carboxylic acid

C15H20N2O3 — CID 62877152

IUPAC1-(3-amino-2-phenylpropanoyl)piperidine-3-carboxylic acid
SMILESNCC(C(=O)N1CCCC(C(=O)O)C1)c1ccccc1
InChIInChI=1S/C15H20N2O3/c16-9-13(11-5-2-1-3-6-11)14(18)17-8-4-7-12(10-17)15(19)20/h1-3,5-6,12-13H,4,7-10,16H2,(H,19,20)
InChIKeyUBYMXYFDNYZEHF-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.05
Rot. Bonds4

About 1-(3-amino-2-phenylpropanoyl)piperidine-3-carboxylic acid

1-(3-amino-2-phenylpropanoyl)piperidine-3-carboxylic acid (PubChem CID 62877152) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(3-amino-2-phenylpropanoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-amino-2-phenylpropanoyl)piperidine-3-carboxylic acid
PubChem CID62877152
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-(3-amino-2-phenylpropanoyl)piperidine-3-carboxylic acid
SMILESNCC(C(=O)N1CCCC(C(=O)O)C1)c1ccccc1
InChIInChI=1S/C15H20N2O3/c16-9-13(11-5-2-1-3-6-11)14(18)17-8-4-7-12(10-17)15(19)20/h1-3,5-6,12-13H,4,7-10,16H2,(H,19,20)
InChIKeyUBYMXYFDNYZEHF-UHFFFAOYSA-N
XLogP1.05
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(2-phenylbutanoyl)piperidine-3-carboxylic acid
CID 81119213
3-amino-1-[3-(dimethylamino)piperidin-1-yl]-2-phenylpropan-1-one;dihydrochloride
CID 119874478
(3S)-1-[(2R)-2-methoxy-2-phenylacetyl]piperidine-3-carboxylic acid
CID 120684525
(3R)-1-(3-amino-3-phenylpropanoyl)piperidine-3-carboxylic acid
CID 81120276
ethyl 1-(2-phenylbutanoyl)piperidine-3-carboxylate
CID 3273147
(3R)-1-[(2S)-2-cyclopentyloxy-2-phenylacetyl]piperidine-3-carboxylic acid
CID 99638949
3-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-phenylpropan-1-one
CID 114797349
(3R)-1-[(2S)-2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperidine-3-carboxylic acid
CID 99638802
(3S)-1-[(2R)-2-(3-fluorophenyl)propanoyl]piperidine-3-carboxylic acid
CID 124576767
1-(3-phenylpentanoyl)piperidine-3-carboxylic acid
CID 119167620
1-(2-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 104592009
(3R)-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 81120555

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-phenylpropanoyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(3-amino-2-phenylpropanoyl)piperidine-3-carboxylic acid (CID 62877152) is 1-(3-amino-2-phenylpropanoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-amino-2-phenylpropanoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(3-amino-2-phenylpropanoyl)piperidine-3-carboxylic acid is NCC(C(=O)N1CCCC(C(=O)O)C1)c1ccccc1.
What is the InChIKey of 1-(3-amino-2-phenylpropanoyl)piperidine-3-carboxylic acid?
The InChIKey is UBYMXYFDNYZEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c16-9-13(11-5-2-1-3-6-11)14(18)17-8-4-7-12(10-17)15(19)20/h1-3,5-6,12-13H,4,7-10,16H2,(H,19,20).
What are the key properties of 1-(3-amino-2-phenylpropanoyl)piperidine-3-carboxylic acid?
1-(3-amino-2-phenylpropanoyl)piperidine-3-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-phenylpropanoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 62877152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).