1-[(2R)-2-(3-chlorophenyl)propanoyl]piperidine-4-carboxylic acid

C15H18ClNO3 — CID 125134350

IUPAC1-[(2R)-2-(3-chlorophenyl)propanoyl]piperidine-4-carboxylic acid
SMILESC[C@@H](C(=O)N1CCC(C(=O)O)CC1)c1cccc(Cl)c1
InChIInChI=1S/C15H18ClNO3/c1-10(12-3-2-4-13(16)9-12)14(18)17-7-5-11(6-8-17)15(19)20/h2-4,9-11H,5-8H2,1H3,(H,19,20)/t10-/m1/s1
InChIKeyJLFHUABRVUIXKE-SNVBAGLBSA-N
MW295.77 g/mol
LogP2.77
Rot. Bonds3

About 1-[(2R)-2-(3-chlorophenyl)propanoyl]piperidine-4-carboxylic acid

1-[(2R)-2-(3-chlorophenyl)propanoyl]piperidine-4-carboxylic acid (PubChem CID 125134350) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is 1-[(2R)-2-(3-chlorophenyl)propanoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2R)-2-(3-chlorophenyl)propanoyl]piperidine-4-carboxylic acid
PubChem CID125134350
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name1-[(2R)-2-(3-chlorophenyl)propanoyl]piperidine-4-carboxylic acid
SMILESC[C@@H](C(=O)N1CCC(C(=O)O)CC1)c1cccc(Cl)c1
InChIInChI=1S/C15H18ClNO3/c1-10(12-3-2-4-13(16)9-12)14(18)17-7-5-11(6-8-17)15(19)20/h2-4,9-11H,5-8H2,1H3,(H,19,20)/t10-/m1/s1
InChIKeyJLFHUABRVUIXKE-SNVBAGLBSA-N
XLogP2.77
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-chlorophenyl)propanoyl]piperidine-4-carboxylic acid
CID 154842275
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-chlorophenyl)propan-1-one
CID 119520449
1-[2-(3-chlorophenyl)propanoyl]-5-methylpiperidine-3-carboxylic acid
CID 122118112
2-(3-chlorophenyl)-1-piperazin-1-ylpropan-1-one
CID 82511839
[1-[(2S)-2-(3-chlorophenyl)propanoyl]piperidin-4-yl]methanesulfonamide
CID 96510197
2-(3-chlorophenyl)-1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one;hydrochloride
CID 119638893
2-(3-chlorophenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119624978
1-[2-(3-chlorophenyl)-2-(dimethylamino)acetyl]pyrrolidine-3-carboxylic acid
CID 119353706
1-[(3-chlorophenyl)-(3-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 4254480
1-(3-methyl-2-phenylbutanoyl)piperidine-4-carboxylic acid
CID 119349401
1-[4-[1-(3-chlorophenyl)ethylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 43747786
cis-(1S,3R)-3-[2-(3-chlorophenyl)propanoylamino]cyclopentane-1-carboxylic acid
CID 120675394

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(3-chlorophenyl)propanoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(2R)-2-(3-chlorophenyl)propanoyl]piperidine-4-carboxylic acid (CID 125134350) is 1-[(2R)-2-(3-chlorophenyl)propanoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2R)-2-(3-chlorophenyl)propanoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2R)-2-(3-chlorophenyl)propanoyl]piperidine-4-carboxylic acid is C[C@@H](C(=O)N1CCC(C(=O)O)CC1)c1cccc(Cl)c1.
What is the InChIKey of 1-[(2R)-2-(3-chlorophenyl)propanoyl]piperidine-4-carboxylic acid?
The InChIKey is JLFHUABRVUIXKE-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H18ClNO3/c1-10(12-3-2-4-13(16)9-12)14(18)17-7-5-11(6-8-17)15(19)20/h2-4,9-11H,5-8H2,1H3,(H,19,20)/t10-/m1/s1.
What are the key properties of 1-[(2R)-2-(3-chlorophenyl)propanoyl]piperidine-4-carboxylic acid?
1-[(2R)-2-(3-chlorophenyl)propanoyl]piperidine-4-carboxylic acid has a molecular weight of 295.77 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(3-chlorophenyl)propanoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 125134350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).