1-(3,5-dichlorobenzoyl)piperidine-3-carboxylic acid

C13H13Cl2NO3 — CID 16774326

IUPAC1-(3,5-dichlorobenzoyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C13H13Cl2NO3/c14-10-4-9(5-11(15)6-10)12(17)16-3-1-2-8(7-16)13(18)19/h4-6,8H,1-3,7H2,(H,18,19)
InChIKeyKYHYYUZLJSXEDS-UHFFFAOYSA-N
MW302.16 g/mol
LogP2.93
Rot. Bonds2

About 1-(3,5-dichlorobenzoyl)piperidine-3-carboxylic acid

1-(3,5-dichlorobenzoyl)piperidine-3-carboxylic acid (PubChem CID 16774326) has the molecular formula C13H13Cl2NO3 and a molecular weight of 302.16 g/mol. Its IUPAC name is 1-(3,5-dichlorobenzoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3,5-dichlorobenzoyl)piperidine-3-carboxylic acid
PubChem CID16774326
Molecular FormulaC13H13Cl2NO3
Molecular Weight302.16 g/mol
Exact Mass301.03
IUPAC Name1-(3,5-dichlorobenzoyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C13H13Cl2NO3/c14-10-4-9(5-11(15)6-10)12(17)16-3-1-2-8(7-16)13(18)19/h4-6,8H,1-3,7H2,(H,18,19)
InChIKeyKYHYYUZLJSXEDS-UHFFFAOYSA-N
XLogP2.93
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 1-(3,5-dichlorobenzoyl)piperidine-3-carboxylate
CID 43404461
(3S)-1-[(3,5-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81125485
(3S)-1-(3,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
CID 858669
1-(3,4-dihydroxybenzoyl)piperidine-3-carboxylic acid
CID 107727974
(3R)-1-[2-chloro-6-(methylamino)pyridine-4-carbonyl]piperidine-3-carboxylic acid
CID 99718166
(3S)-1-(7-chloro-1,3-benzodioxole-5-carbonyl)piperidine-3-carboxylic acid
CID 78925377
(3,5-dichlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62372685
(3S)-1-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperidine-3-carboxylic acid
CID 78925286
(3S)-1-(4-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257342
(3R)-1-(4-chloropyridine-2-carbonyl)piperidine-3-carboxylic acid
CID 81118172
(3S)-1-(3-aminobenzoyl)piperidine-3-carboxylic acid
CID 81125780
(3R)-1-(3-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257324

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorobenzoyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(3,5-dichlorobenzoyl)piperidine-3-carboxylic acid (CID 16774326) is 1-(3,5-dichlorobenzoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3,5-dichlorobenzoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(3,5-dichlorobenzoyl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)c2cc(Cl)cc(Cl)c2)C1.
What is the InChIKey of 1-(3,5-dichlorobenzoyl)piperidine-3-carboxylic acid?
The InChIKey is KYHYYUZLJSXEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO3/c14-10-4-9(5-11(15)6-10)12(17)16-3-1-2-8(7-16)13(18)19/h4-6,8H,1-3,7H2,(H,18,19).
What are the key properties of 1-(3,5-dichlorobenzoyl)piperidine-3-carboxylic acid?
1-(3,5-dichlorobenzoyl)piperidine-3-carboxylic acid has a molecular weight of 302.16 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorobenzoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 16774326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).