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

C15H18ClNO3 — CID 154842275

IUPAC1-[2-(4-chlorophenyl)propanoyl]piperidine-4-carboxylic acid
SMILESCC(C(=O)N1CCC(C(=O)O)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClNO3/c1-10(11-2-4-13(16)5-3-11)14(18)17-8-6-12(7-9-17)15(19)20/h2-5,10,12H,6-9H2,1H3,(H,19,20)
InChIKeyIRVWXLIXEUUWNB-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.77
Rot. Bonds3

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

1-[2-(4-chlorophenyl)propanoyl]piperidine-4-carboxylic acid (PubChem CID 154842275) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)propanoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)propanoyl]piperidine-4-carboxylic acid
PubChem CID154842275
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name1-[2-(4-chlorophenyl)propanoyl]piperidine-4-carboxylic acid
SMILESCC(C(=O)N1CCC(C(=O)O)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClNO3/c1-10(11-2-4-13(16)5-3-11)14(18)17-8-6-12(7-9-17)15(19)20/h2-5,10,12H,6-9H2,1H3,(H,19,20)
InChIKeyIRVWXLIXEUUWNB-UHFFFAOYSA-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-[(2R)-2-(3-chlorophenyl)propanoyl]piperidine-4-carboxylic acid
CID 125134350
1-[2-[(4-chlorobenzoyl)amino]propanoyl]piperidine-4-carboxylic acid
CID 119349897
(3R)-1-[(1S)-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 124677629
1-(3-methyl-2-phenylbutanoyl)piperidine-4-carboxylic acid
CID 119349401
(2R)-2-phenyl-1-[4-[(2R)-2-phenylpropanoyl]piperazin-1-yl]propan-1-one
CID 94855656
(3S)-1-[2-(4-bromophenyl)propanoyl]piperidine-3-carboxylic acid
CID 120514149
(2S)-2-(4-chlorophenyl)-1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 174681736
(2S)-2-amino-1-[4-(4-chlorobenzoyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119289954
(2S)-2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propan-1-one
CID 119321782
N-benzyl-1-(2-phenylpropanoyl)piperidine-4-carboxamide
CID 11035504
1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylic acid
CID 45341294
(2R)-2-(4-bromophenyl)-1-[4-(dimethylamino)piperidin-1-yl]propan-1-one
CID 124567680

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)propanoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(4-chlorophenyl)propanoyl]piperidine-4-carboxylic acid (CID 154842275) is 1-[2-(4-chlorophenyl)propanoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(4-chlorophenyl)propanoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(4-chlorophenyl)propanoyl]piperidine-4-carboxylic acid is CC(C(=O)N1CCC(C(=O)O)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)propanoyl]piperidine-4-carboxylic acid?
The InChIKey is IRVWXLIXEUUWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3/c1-10(11-2-4-13(16)5-3-11)14(18)17-8-6-12(7-9-17)15(19)20/h2-5,10,12H,6-9H2,1H3,(H,19,20).
What are the key properties of 1-[2-(4-chlorophenyl)propanoyl]piperidine-4-carboxylic acid?
1-[2-(4-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-[2-(4-chlorophenyl)propanoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 154842275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).