1-(2,3-dichlorobenzoyl)piperidine-4-carbonitrile

C13H12Cl2N2O — CID 49064699

IUPAC1-(2,3-dichlorobenzoyl)piperidine-4-carbonitrile
SMILESN#CC1CCN(C(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C13H12Cl2N2O/c14-11-3-1-2-10(12(11)15)13(18)17-6-4-9(8-16)5-7-17/h1-3,9H,4-7H2
InChIKeyUMKNJIDRNQJIQO-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.37
Rot. Bonds1

About 1-(2,3-dichlorobenzoyl)piperidine-4-carbonitrile

1-(2,3-dichlorobenzoyl)piperidine-4-carbonitrile (PubChem CID 49064699) has the molecular formula C13H12Cl2N2O and a molecular weight of 283.16 g/mol. Its IUPAC name is 1-(2,3-dichlorobenzoyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(2,3-dichlorobenzoyl)piperidine-4-carbonitrile
PubChem CID49064699
Molecular FormulaC13H12Cl2N2O
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name1-(2,3-dichlorobenzoyl)piperidine-4-carbonitrile
SMILESN#CC1CCN(C(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C13H12Cl2N2O/c14-11-3-1-2-10(12(11)15)13(18)17-6-4-9(8-16)5-7-17/h1-3,9H,4-7H2
InChIKeyUMKNJIDRNQJIQO-UHFFFAOYSA-N
XLogP3.37
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-acetylbenzoyl)piperidine-4-carbonitrile
CID 91781325
4-(2,3-dichlorobenzoyl)morpholine-2-carbonitrile
CID 78945716
1-(3-chlorobenzoyl)piperidine-4-carbonitrile
CID 39351559
(2,3-dichlorophenyl)-morpholin-4-ylmethanone
CID 1247473
1-[4-(2-chlorophenyl)-4-oxobutanoyl]piperidine-4-carbonitrile
CID 110634386
1-(2,3-dichloro-5-nitrobenzoyl)piperidine-4-carbonitrile
CID 107261912
1-(2-methylsulfanylbenzoyl)piperidine-4-carbonitrile
CID 28665910
1-[2-[(4-chlorophenyl)methyl]benzoyl]piperidine-4-carbonitrile
CID 46991082
2-[4-(2,3-dichlorobenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120974959
(2,3-dichlorophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone
CID 55460870
methyl 1-(2,3-dichlorobenzoyl)pyrrolidine-3-carboxylate
CID 113226241
[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119287862

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorobenzoyl)piperidine-4-carbonitrile?
The IUPAC name of 1-(2,3-dichlorobenzoyl)piperidine-4-carbonitrile (CID 49064699) is 1-(2,3-dichlorobenzoyl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-(2,3-dichlorobenzoyl)piperidine-4-carbonitrile?
The canonical SMILES for 1-(2,3-dichlorobenzoyl)piperidine-4-carbonitrile is N#CC1CCN(C(=O)c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of 1-(2,3-dichlorobenzoyl)piperidine-4-carbonitrile?
The InChIKey is UMKNJIDRNQJIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O/c14-11-3-1-2-10(12(11)15)13(18)17-6-4-9(8-16)5-7-17/h1-3,9H,4-7H2.
What are the key properties of 1-(2,3-dichlorobenzoyl)piperidine-4-carbonitrile?
1-(2,3-dichlorobenzoyl)piperidine-4-carbonitrile has a molecular weight of 283.16 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorobenzoyl)piperidine-4-carbonitrile is sourced from PubChem (CID 49064699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).