3-hydroxy-1-(2-phenylacetyl)piperidine-3-carboxylic acid

C14H17NO4 — CID 146130229

IUPAC3-hydroxy-1-(2-phenylacetyl)piperidine-3-carboxylic acid
SMILESO=C(Cc1ccccc1)N1CCCC(O)(C(=O)O)C1
InChIInChI=1S/C14H17NO4/c16-12(9-11-5-2-1-3-6-11)15-8-4-7-14(19,10-15)13(17)18/h1-3,5-6,19H,4,7-10H2,(H,17,18)
InChIKeyQTEUGRXKKKCHFX-UHFFFAOYSA-N
MW263.29 g/mol
LogP0.67
Rot. Bonds3

About 3-hydroxy-1-(2-phenylacetyl)piperidine-3-carboxylic acid

3-hydroxy-1-(2-phenylacetyl)piperidine-3-carboxylic acid (PubChem CID 146130229) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 3-hydroxy-1-(2-phenylacetyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-1-(2-phenylacetyl)piperidine-3-carboxylic acid
PubChem CID146130229
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name3-hydroxy-1-(2-phenylacetyl)piperidine-3-carboxylic acid
SMILESO=C(Cc1ccccc1)N1CCCC(O)(C(=O)O)C1
InChIInChI=1S/C14H17NO4/c16-12(9-11-5-2-1-3-6-11)15-8-4-7-14(19,10-15)13(17)18/h1-3,5-6,19H,4,7-10H2,(H,17,18)
InChIKeyQTEUGRXKKKCHFX-UHFFFAOYSA-N
XLogP0.67
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(dibenzylamino)acetyl]-3-hydroxypiperidine-3-carboxylic acid
CID 154869321
1-(azetidin-1-yl)-2-phenylethanone
CID 18670940
(3S)-1-[2-(3-bromophenyl)acetyl]-3-hydroxypiperidine-3-carboxamide
CID 129486382
(3S)-1-[2-(3-fluorophenyl)acetyl]-3-hydroxypiperidine-3-carboxamide
CID 129485444
1-[(6R)-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]-2-phenylethanone
CID 97449072
1-(1-benzyl-1,9-diazaspiro[4.5]decan-9-yl)-2-(4-chlorophenyl)ethanone
CID 131647501
1-[4-hydroxy-4-(phenoxymethyl)azepan-1-yl]-2-phenylethanone
CID 155990787
1-(3-methyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-2-phenylethanone
CID 134790728
1-(4-acetyl-1,4-diazepan-1-yl)-2-phenylethanone
CID 44603156
1-[4-hydroxy-4-(hydroxymethyl)azepan-1-yl]-2-(4-phenylphenyl)ethanone
CID 77085636
1-(3,3-difluoroazetidin-1-yl)-2-phenylethanone
CID 141369177
1-[2-(4-ethoxyphenyl)acetyl]-3-hydroxypiperidine-3-carboxamide
CID 128964748

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-(2-phenylacetyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-hydroxy-1-(2-phenylacetyl)piperidine-3-carboxylic acid (CID 146130229) is 3-hydroxy-1-(2-phenylacetyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-hydroxy-1-(2-phenylacetyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-hydroxy-1-(2-phenylacetyl)piperidine-3-carboxylic acid is O=C(Cc1ccccc1)N1CCCC(O)(C(=O)O)C1.
What is the InChIKey of 3-hydroxy-1-(2-phenylacetyl)piperidine-3-carboxylic acid?
The InChIKey is QTEUGRXKKKCHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c16-12(9-11-5-2-1-3-6-11)15-8-4-7-14(19,10-15)13(17)18/h1-3,5-6,19H,4,7-10H2,(H,17,18).
What are the key properties of 3-hydroxy-1-(2-phenylacetyl)piperidine-3-carboxylic acid?
3-hydroxy-1-(2-phenylacetyl)piperidine-3-carboxylic acid has a molecular weight of 263.29 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(2-phenylacetyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 146130229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).