1-[(2S)-2-cyclopentyl-2-phenylacetyl]-4-hydroxypiperidine-4-carboxylic acid

C19H25NO4 — CID 95543173

IUPAC1-[(2S)-2-cyclopentyl-2-phenylacetyl]-4-hydroxypiperidine-4-carboxylic acid
SMILESO=C([C@H](c1ccccc1)C1CCCC1)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C19H25NO4/c21-17(20-12-10-19(24,11-13-20)18(22)23)16(15-8-4-5-9-15)14-6-2-1-3-7-14/h1-3,6-7,15-16,24H,4-5,8-13H2,(H,22,23)/t16-/m1/s1
InChIKeyYCCVQUVETPRHFF-MRXNPFEDSA-N
MW331.41 g/mol
LogP2.40
Rot. Bonds4

About 1-[(2S)-2-cyclopentyl-2-phenylacetyl]-4-hydroxypiperidine-4-carboxylic acid

1-[(2S)-2-cyclopentyl-2-phenylacetyl]-4-hydroxypiperidine-4-carboxylic acid (PubChem CID 95543173) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is 1-[(2S)-2-cyclopentyl-2-phenylacetyl]-4-hydroxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2S)-2-cyclopentyl-2-phenylacetyl]-4-hydroxypiperidine-4-carboxylic acid
PubChem CID95543173
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Name1-[(2S)-2-cyclopentyl-2-phenylacetyl]-4-hydroxypiperidine-4-carboxylic acid
SMILESO=C([C@H](c1ccccc1)C1CCCC1)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C19H25NO4/c21-17(20-12-10-19(24,11-13-20)18(22)23)16(15-8-4-5-9-15)14-6-2-1-3-7-14/h1-3,6-7,15-16,24H,4-5,8-13H2,(H,22,23)/t16-/m1/s1
InChIKeyYCCVQUVETPRHFF-MRXNPFEDSA-N
XLogP2.40
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-phenyl-1-pyrrolidin-1-ylethanone
CID 110406993
2-cyclopentyl-2-phenyl-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone
CID 122664615
(2R)-2-cyclohexyl-2-phenylacetate
CID 6931336
(2S)-6-[(2S)-2-cyclopentyl-2-phenylacetyl]-N-(furan-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42539996
1-(4-benzylpiperazin-1-yl)-2-cyclopropyl-2-phenylethanone
CID 110411985
(2S)-2-cyclopentyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenylethanone
CID 99934036
5-[4-(2-cyclopentyl-2-phenylacetyl)piperazin-1-yl]-2-methylpyridazin-3-one
CID 91777949
(2R)-2-cyclopentyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenylethanone
CID 99934035
4-[2-(3-chlorophenyl)-2-cyclohexylacetyl]piperazine-1-carboxylic acid
CID 174510521
4-[2-(4-chlorophenyl)-2-cyclopentylacetyl]piperazine-1-carbaldehyde
CID 110408599
2-cyclopentyl-1-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)-2-phenylethanone
CID 16674773
1-cyclopentyl-3,3-dimethyl-1-phenylbutan-2-one
CID 118698010

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-cyclopentyl-2-phenylacetyl]-4-hydroxypiperidine-4-carboxylic acid?
The IUPAC name of 1-[(2S)-2-cyclopentyl-2-phenylacetyl]-4-hydroxypiperidine-4-carboxylic acid (CID 95543173) is 1-[(2S)-2-cyclopentyl-2-phenylacetyl]-4-hydroxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2S)-2-cyclopentyl-2-phenylacetyl]-4-hydroxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2S)-2-cyclopentyl-2-phenylacetyl]-4-hydroxypiperidine-4-carboxylic acid is O=C([C@H](c1ccccc1)C1CCCC1)N1CCC(O)(C(=O)O)CC1.
What is the InChIKey of 1-[(2S)-2-cyclopentyl-2-phenylacetyl]-4-hydroxypiperidine-4-carboxylic acid?
The InChIKey is YCCVQUVETPRHFF-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25NO4/c21-17(20-12-10-19(24,11-13-20)18(22)23)16(15-8-4-5-9-15)14-6-2-1-3-7-14/h1-3,6-7,15-16,24H,4-5,8-13H2,(H,22,23)/t16-/m1/s1.
What are the key properties of 1-[(2S)-2-cyclopentyl-2-phenylacetyl]-4-hydroxypiperidine-4-carboxylic acid?
1-[(2S)-2-cyclopentyl-2-phenylacetyl]-4-hydroxypiperidine-4-carboxylic acid has a molecular weight of 331.41 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-cyclopentyl-2-phenylacetyl]-4-hydroxypiperidine-4-carboxylic acid is sourced from PubChem (CID 95543173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).