1-(2-chloro-5-phenylbenzoyl)piperidine-4-carboxylic acid

C19H18ClNO3 — CID 119349827

IUPAC1-(2-chloro-5-phenylbenzoyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2cc(-c3ccccc3)ccc2Cl)CC1
InChIInChI=1S/C19H18ClNO3/c20-17-7-6-15(13-4-2-1-3-5-13)12-16(17)18(22)21-10-8-14(9-11-21)19(23)24/h1-7,12,14H,8-11H2,(H,23,24)
InChIKeyPWWDWLLPYDYYPG-UHFFFAOYSA-N
MW343.81 g/mol
LogP3.94
Rot. Bonds3

About 1-(2-chloro-5-phenylbenzoyl)piperidine-4-carboxylic acid

1-(2-chloro-5-phenylbenzoyl)piperidine-4-carboxylic acid (PubChem CID 119349827) has the molecular formula C19H18ClNO3 and a molecular weight of 343.81 g/mol. Its IUPAC name is 1-(2-chloro-5-phenylbenzoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-chloro-5-phenylbenzoyl)piperidine-4-carboxylic acid
PubChem CID119349827
Molecular FormulaC19H18ClNO3
Molecular Weight343.81 g/mol
Exact Mass343.10
IUPAC Name1-(2-chloro-5-phenylbenzoyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2cc(-c3ccccc3)ccc2Cl)CC1
InChIInChI=1S/C19H18ClNO3/c20-17-7-6-15(13-4-2-1-3-5-13)12-16(17)18(22)21-10-8-14(9-11-21)19(23)24/h1-7,12,14H,8-11H2,(H,23,24)
InChIKeyPWWDWLLPYDYYPG-UHFFFAOYSA-N
XLogP3.94
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-5-phenylphenyl)-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124613032
(2-chloro-5-phenylphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120997706
[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-phenylmethanone
CID 17449620
1-(4-phenylthiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 45341237
1-(2-aminobenzoyl)piperidine-4-carboxylic acid
CID 1211390
1-(5-chloro-2-hydroxybenzoyl)piperidine-4-carboxylic acid
CID 24691005
1-(2-chloro-5-nitrobenzoyl)pyrrolidine-3-carboxylic acid
CID 63030602
1-(4-phenylbenzoyl)-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide
CID 126069700
(3S)-1-(4-phenylbenzoyl)pyrrolidine-3-carboxylic acid
CID 124703559
1-(2-chloro-5-pyridin-2-ylbenzoyl)piperidine-3-carboxylic acid
CID 120512590
1-(5-chloro-2-phenylsulfanylbenzoyl)piperidine-4-carboxylic acid
CID 120512319
1-[(E)-3-(2-chlorophenyl)but-2-enoyl]piperidine-4-carboxylic acid
CID 132984174

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-phenylbenzoyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2-chloro-5-phenylbenzoyl)piperidine-4-carboxylic acid (CID 119349827) is 1-(2-chloro-5-phenylbenzoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-chloro-5-phenylbenzoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-chloro-5-phenylbenzoyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)c2cc(-c3ccccc3)ccc2Cl)CC1.
What is the InChIKey of 1-(2-chloro-5-phenylbenzoyl)piperidine-4-carboxylic acid?
The InChIKey is PWWDWLLPYDYYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO3/c20-17-7-6-15(13-4-2-1-3-5-13)12-16(17)18(22)21-10-8-14(9-11-21)19(23)24/h1-7,12,14H,8-11H2,(H,23,24).
What are the key properties of 1-(2-chloro-5-phenylbenzoyl)piperidine-4-carboxylic acid?
1-(2-chloro-5-phenylbenzoyl)piperidine-4-carboxylic acid has a molecular weight of 343.81 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-phenylbenzoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 119349827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).