(3S)-1-[(2R)-2-methoxy-2-phenylacetyl]piperidine-3-carboxylic acid

C15H19NO4 — CID 120684525

IUPAC(3S)-1-[(2R)-2-methoxy-2-phenylacetyl]piperidine-3-carboxylic acid
SMILESCO[C@@H](C(=O)N1CCC[C@H](C(=O)O)C1)c1ccccc1
InChIInChI=1S/C15H19NO4/c1-20-13(11-6-3-2-4-7-11)14(17)16-9-5-8-12(10-16)15(18)19/h2-4,6-7,12-13H,5,8-10H2,1H3,(H,18,19)/t12-,13+/m0/s1
InChIKeyNGPBEFLMYAGQEH-QWHCGFSZSA-N
MW277.32 g/mol
LogP1.70
Rot. Bonds4

About (3S)-1-[(2R)-2-methoxy-2-phenylacetyl]piperidine-3-carboxylic acid

(3S)-1-[(2R)-2-methoxy-2-phenylacetyl]piperidine-3-carboxylic acid (PubChem CID 120684525) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is (3S)-1-[(2R)-2-methoxy-2-phenylacetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[(2R)-2-methoxy-2-phenylacetyl]piperidine-3-carboxylic acid
PubChem CID120684525
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name(3S)-1-[(2R)-2-methoxy-2-phenylacetyl]piperidine-3-carboxylic acid
SMILESCO[C@@H](C(=O)N1CCC[C@H](C(=O)O)C1)c1ccccc1
InChIInChI=1S/C15H19NO4/c1-20-13(11-6-3-2-4-7-11)14(17)16-9-5-8-12(10-16)15(18)19/h2-4,6-7,12-13H,5,8-10H2,1H3,(H,18,19)/t12-,13+/m0/s1
InChIKeyNGPBEFLMYAGQEH-QWHCGFSZSA-N
XLogP1.70
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-2-phenyl-1-piperidin-1-ylethanone
CID 60775756
(3R)-1-[(2S)-2-cyclopentyloxy-2-phenylacetyl]piperidine-3-carboxylic acid
CID 99638949
1-(2-methoxy-2-phenylacetyl)-N-pentan-2-ylpiperidine-3-carboxamide
CID 49404500
methyl 1-(2-methoxy-2-phenylacetyl)pyrrolidine-3-carboxylate
CID 112733867
(2S)-1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-methoxy-2-phenylethanone
CID 124677545
1-(2-methoxy-2-phenylacetyl)piperidine-3-sulfonamide
CID 62098751
(3R)-1-(2-phenylbutanoyl)piperidine-3-carboxylic acid
CID 81119213
1-(3-hydroxypyrrolidin-1-yl)-2-methoxy-2-phenylethanone
CID 62918304
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methoxy-2-phenylethanone
CID 66291678
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methoxy-2-phenylethanone
CID 79030711
1-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxy-2-phenylethanone;hydrochloride
CID 119413072
1-(3-amino-2-phenylpropanoyl)piperidine-3-carboxylic acid
CID 62877152

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2R)-2-methoxy-2-phenylacetyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[(2R)-2-methoxy-2-phenylacetyl]piperidine-3-carboxylic acid (CID 120684525) is (3S)-1-[(2R)-2-methoxy-2-phenylacetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[(2R)-2-methoxy-2-phenylacetyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[(2R)-2-methoxy-2-phenylacetyl]piperidine-3-carboxylic acid is CO[C@@H](C(=O)N1CCC[C@H](C(=O)O)C1)c1ccccc1.
What is the InChIKey of (3S)-1-[(2R)-2-methoxy-2-phenylacetyl]piperidine-3-carboxylic acid?
The InChIKey is NGPBEFLMYAGQEH-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H19NO4/c1-20-13(11-6-3-2-4-7-11)14(17)16-9-5-8-12(10-16)15(18)19/h2-4,6-7,12-13H,5,8-10H2,1H3,(H,18,19)/t12-,13+/m0/s1.
What are the key properties of (3S)-1-[(2R)-2-methoxy-2-phenylacetyl]piperidine-3-carboxylic acid?
(3S)-1-[(2R)-2-methoxy-2-phenylacetyl]piperidine-3-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2R)-2-methoxy-2-phenylacetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 120684525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).