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

C19H25NO4 — CID 99638949

IUPAC(3R)-1-[(2S)-2-cyclopentyloxy-2-phenylacetyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)[C@@H](OC2CCCC2)c2ccccc2)C1
InChIInChI=1S/C19H25NO4/c21-18(20-12-6-9-15(13-20)19(22)23)17(14-7-2-1-3-8-14)24-16-10-4-5-11-16/h1-3,7-8,15-17H,4-6,9-13H2,(H,22,23)/t15-,17+/m1/s1
InChIKeyKFEIAFYEKRHUBL-WBVHZDCISA-N
MW331.41 g/mol
LogP3.01
Rot. Bonds5

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

(3R)-1-[(2S)-2-cyclopentyloxy-2-phenylacetyl]piperidine-3-carboxylic acid (PubChem CID 99638949) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is (3R)-1-[(2S)-2-cyclopentyloxy-2-phenylacetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[(2S)-2-cyclopentyloxy-2-phenylacetyl]piperidine-3-carboxylic acid
PubChem CID99638949
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Name(3R)-1-[(2S)-2-cyclopentyloxy-2-phenylacetyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)[C@@H](OC2CCCC2)c2ccccc2)C1
InChIInChI=1S/C19H25NO4/c21-18(20-12-6-9-15(13-20)19(22)23)17(14-7-2-1-3-8-14)24-16-10-4-5-11-16/h1-3,7-8,15-17H,4-6,9-13H2,(H,22,23)/t15-,17+/m1/s1
InChIKeyKFEIAFYEKRHUBL-WBVHZDCISA-N
XLogP3.01
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(2R)-2-methoxy-2-phenylacetyl]piperidine-3-carboxylic acid
CID 120684525
4-(2-cyclopentyloxy-2-phenylacetyl)morpholine-2-carboxylic acid
CID 122146208
2-cyclopentyloxy-1-(4-hydroxypiperidin-1-yl)-2-phenylethanone
CID 110923625
1-(3-amino-2-phenylpropanoyl)piperidine-3-carboxylic acid
CID 62877152
(3R)-1-(2-phenylbutanoyl)piperidine-3-carboxylic acid
CID 81119213
2-cyclohexyloxy-2-phenylacetic acid
CID 43424351
(3R)-1-[(2S)-2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperidine-3-carboxylic acid
CID 99638802
(3S)-1-[(2S)-2-cyclohexyloxybutanoyl]piperidine-3-carboxylic acid
CID 99623318
(3R)-1-(2-phenoxypropanoyl)piperidine-3-carboxylic acid
CID 81119430
methyl (2R)-2-cyclohexyloxy-2-phenylacetate
CID 45114259
2-methoxy-2-phenyl-1-piperidin-1-ylethanone
CID 60775756
(3R)-1-(3-amino-3-phenylpropanoyl)piperidine-3-carboxylic acid
CID 81120276

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2S)-2-cyclopentyloxy-2-phenylacetyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[(2S)-2-cyclopentyloxy-2-phenylacetyl]piperidine-3-carboxylic acid (CID 99638949) is (3R)-1-[(2S)-2-cyclopentyloxy-2-phenylacetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[(2S)-2-cyclopentyloxy-2-phenylacetyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[(2S)-2-cyclopentyloxy-2-phenylacetyl]piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(C(=O)[C@@H](OC2CCCC2)c2ccccc2)C1.
What is the InChIKey of (3R)-1-[(2S)-2-cyclopentyloxy-2-phenylacetyl]piperidine-3-carboxylic acid?
The InChIKey is KFEIAFYEKRHUBL-WBVHZDCISA-N. The full InChI is InChI=1S/C19H25NO4/c21-18(20-12-6-9-15(13-20)19(22)23)17(14-7-2-1-3-8-14)24-16-10-4-5-11-16/h1-3,7-8,15-17H,4-6,9-13H2,(H,22,23)/t15-,17+/m1/s1.
What are the key properties of (3R)-1-[(2S)-2-cyclopentyloxy-2-phenylacetyl]piperidine-3-carboxylic acid?
(3R)-1-[(2S)-2-cyclopentyloxy-2-phenylacetyl]piperidine-3-carboxylic acid has a molecular weight of 331.41 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2S)-2-cyclopentyloxy-2-phenylacetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 99638949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).