1-(2-aminoacetyl)-6-phenylpiperidine-2-carboxylate

C14H17N2O3- — CID 19967950

IUPAC1-(2-aminoacetyl)-6-phenylpiperidine-2-carboxylate
SMILESNCC(=O)N1C(C(=O)[O-])CCCC1c1ccccc1
InChIInChI=1S/C14H18N2O3/c15-9-13(17)16-11(10-5-2-1-3-6-10)7-4-8-12(16)14(18)19/h1-3,5-6,11-12H,4,7-9,15H2,(H,18,19)/p-1
InChIKeyFRUKFPJTUDPMLX-UHFFFAOYSA-M
MW261.30 g/mol
LogP-0.18
Rot. Bonds3

About 1-(2-aminoacetyl)-6-phenylpiperidine-2-carboxylate

1-(2-aminoacetyl)-6-phenylpiperidine-2-carboxylate (PubChem CID 19967950) has the molecular formula C14H17N2O3- and a molecular weight of 261.30 g/mol. Its IUPAC name is 1-(2-aminoacetyl)-6-phenylpiperidine-2-carboxylate.

Molecular Properties

Compound Name1-(2-aminoacetyl)-6-phenylpiperidine-2-carboxylate
PubChem CID19967950
Molecular FormulaC14H17N2O3-
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name1-(2-aminoacetyl)-6-phenylpiperidine-2-carboxylate
SMILESNCC(=O)N1C(C(=O)[O-])CCCC1c1ccccc1
InChIInChI=1S/C14H18N2O3/c15-9-13(17)16-11(10-5-2-1-3-6-10)7-4-8-12(16)14(18)19/h1-3,5-6,11-12H,4,7-9,15H2,(H,18,19)/p-1
InChIKeyFRUKFPJTUDPMLX-UHFFFAOYSA-M
XLogP-0.18
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-aminoacetyl)-6-phenylpiperidine-2-carboxylate 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

2-[(2R,6R)-2-methyl-6-phenylpiperidin-1-yl]-2-oxoacetic acid
CID 164752640
6-amino-1-(2-phenylpyrrolidin-1-yl)hexan-1-one
CID 43579532
2-amino-1-(3-phenylthiomorpholin-4-yl)ethanone;hydrochloride
CID 119281363
3-amino-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoic acid
CID 64897035
(2S)-1-benzoylpyrrolidine-2-carboxylate
CID 6988238
2,2,2-trifluoroethyl 2-phenylpyrrolidine-1-carboxylate
CID 61067662
3-methyl-1-(2-phenylpyrrolidin-1-yl)butan-1-one
CID 110871522
2-amino-1-(3-phenylmorpholin-4-yl)ethanone;hydrochloride
CID 119337230
5-hydroxy-1-(2-phenylpyrrolidin-1-yl)pentan-1-one
CID 79199360
sodium;1-[(2S,6S)-2-methyl-6-phenylpiperidin-1-yl]ethane-1,2-dione;hydroxide
CID 164753404
2-(2-phenylpiperidin-1-yl)acetic acid
CID 23201321
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-phenylpyrrolidin-1-yl)methanone
CID 120785176

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoacetyl)-6-phenylpiperidine-2-carboxylate?
The IUPAC name of 1-(2-aminoacetyl)-6-phenylpiperidine-2-carboxylate (CID 19967950) is 1-(2-aminoacetyl)-6-phenylpiperidine-2-carboxylate.
What is the SMILES notation for 1-(2-aminoacetyl)-6-phenylpiperidine-2-carboxylate?
The canonical SMILES for 1-(2-aminoacetyl)-6-phenylpiperidine-2-carboxylate is NCC(=O)N1C(C(=O)[O-])CCCC1c1ccccc1.
What is the InChIKey of 1-(2-aminoacetyl)-6-phenylpiperidine-2-carboxylate?
The InChIKey is FRUKFPJTUDPMLX-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H18N2O3/c15-9-13(17)16-11(10-5-2-1-3-6-10)7-4-8-12(16)14(18)19/h1-3,5-6,11-12H,4,7-9,15H2,(H,18,19)/p-1.
What are the key properties of 1-(2-aminoacetyl)-6-phenylpiperidine-2-carboxylate?
1-(2-aminoacetyl)-6-phenylpiperidine-2-carboxylate has a molecular weight of 261.30 g/mol, XLogP of -0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoacetyl)-6-phenylpiperidine-2-carboxylate is sourced from PubChem (CID 19967950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).