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

C15H18ClNO3 — CID 45341294

IUPAC1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)CCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H18ClNO3/c16-13-4-1-11(2-5-13)3-6-14(18)17-9-7-12(8-10-17)15(19)20/h1-2,4-5,12H,3,6-10H2,(H,19,20)
InChIKeyFNMBCSJGOARXPS-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.60
Rot. Bonds4

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

1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylic acid (PubChem CID 45341294) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylic acid
PubChem CID45341294
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)CCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H18ClNO3/c16-13-4-1-11(2-5-13)3-6-14(18)17-9-7-12(8-10-17)15(19)20/h1-2,4-5,12H,3,6-10H2,(H,19,20)
InChIKeyFNMBCSJGOARXPS-UHFFFAOYSA-N
XLogP2.60
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[3-(4-chlorophenyl)propanoyl]pyrrolidine-3-carboxylic acid
CID 124700361
3-(4-chlorophenyl)-1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536940
ethyl 1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylate
CID 35763528
3-(4-chlorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 21025482
N'-[2-(4-chlorophenyl)acetyl]-1-(3-phenylpropanoyl)piperidine-4-carbohydrazide
CID 46411290
1-[3-[4-(difluoromethoxy)phenyl]propanoyl]piperidine-4-carboxylic acid
CID 119166789
1-[3-(4-propoxyphenyl)propanoyl]piperidine-4-carboxylic acid
CID 119166313
3-(4-chlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 119644784
N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]cyclohexanecarboxamide
CID 108549997
4-chloro-1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]butan-1-one
CID 108569833
1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidine-4-carboxylic acid
CID 75405723
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 757895

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylic acid (CID 45341294) is 1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)CCc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylic acid?
The InChIKey is FNMBCSJGOARXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3/c16-13-4-1-11(2-5-13)3-6-14(18)17-9-7-12(8-10-17)15(19)20/h1-2,4-5,12H,3,6-10H2,(H,19,20).
What are the key properties of 1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylic acid?
1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylic acid has a molecular weight of 295.77 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 45341294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).