2-cyano-N-(3,5-dichlorophenyl)piperidine-1-carboxamide

C13H13Cl2N3O — CID 107653464

IUPAC2-cyano-N-(3,5-dichlorophenyl)piperidine-1-carboxamide
SMILESN#CC1CCCCN1C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H13Cl2N3O/c14-9-5-10(15)7-11(6-9)17-13(19)18-4-2-1-3-12(18)8-16/h5-7,12H,1-4H2,(H,17,19)
InChIKeyKJUIDTBUPPIYMM-UHFFFAOYSA-N
MW298.17 g/mol
LogP3.90
Rot. Bonds1

About 2-cyano-N-(3,5-dichlorophenyl)piperidine-1-carboxamide

2-cyano-N-(3,5-dichlorophenyl)piperidine-1-carboxamide (PubChem CID 107653464) has the molecular formula C13H13Cl2N3O and a molecular weight of 298.17 g/mol. Its IUPAC name is 2-cyano-N-(3,5-dichlorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name2-cyano-N-(3,5-dichlorophenyl)piperidine-1-carboxamide
PubChem CID107653464
Molecular FormulaC13H13Cl2N3O
Molecular Weight298.17 g/mol
Exact Mass297.04
IUPAC Name2-cyano-N-(3,5-dichlorophenyl)piperidine-1-carboxamide
SMILESN#CC1CCCCN1C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H13Cl2N3O/c14-9-5-10(15)7-11(6-9)17-13(19)18-4-2-1-3-12(18)8-16/h5-7,12H,1-4H2,(H,17,19)
InChIKeyKJUIDTBUPPIYMM-UHFFFAOYSA-N
XLogP3.90
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3,5-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 61185284
N-(3,5-dichlorophenyl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carboxamide
CID 107654343
1-(2-bromo-5-chlorobenzoyl)piperidine-2-carbonitrile
CID 114027649
(3S)-1-[(3,5-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81125485
4-cycloheptyl-N-(3,5-dichlorophenyl)piperazine-1-carboxamide
CID 113110558
1-(3-chloro-5-methylbenzoyl)pyrrolidine-2-carbonitrile
CID 81323643
N-(3,5-dichlorophenyl)-4-hydroxypiperidine-1-carboxamide
CID 113223015
(3S)-3-amino-N-(3,5-dichlorophenyl)pyrrolidine-1-carboxamide
CID 107654257
3-(azepan-1-yl)-N-(3,5-dichlorophenyl)azetidine-1-carboxamide
CID 67082547
4-cyclopentyl-N-(3,5-dichlorophenyl)-4-hydroxypiperidine-1-carboxamide
CID 23072018
(3S,4S)-N-(3,5-dichlorophenyl)-3-hydroxy-4-piperidin-1-ylpyrrolidine-1-carboxamide
CID 74233056
(2S)-1-acetylazepane-2-carbonitrile
CID 125042026

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(3,5-dichlorophenyl)piperidine-1-carboxamide?
The IUPAC name of 2-cyano-N-(3,5-dichlorophenyl)piperidine-1-carboxamide (CID 107653464) is 2-cyano-N-(3,5-dichlorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 2-cyano-N-(3,5-dichlorophenyl)piperidine-1-carboxamide?
The canonical SMILES for 2-cyano-N-(3,5-dichlorophenyl)piperidine-1-carboxamide is N#CC1CCCCN1C(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-cyano-N-(3,5-dichlorophenyl)piperidine-1-carboxamide?
The InChIKey is KJUIDTBUPPIYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O/c14-9-5-10(15)7-11(6-9)17-13(19)18-4-2-1-3-12(18)8-16/h5-7,12H,1-4H2,(H,17,19).
What are the key properties of 2-cyano-N-(3,5-dichlorophenyl)piperidine-1-carboxamide?
2-cyano-N-(3,5-dichlorophenyl)piperidine-1-carboxamide has a molecular weight of 298.17 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3,5-dichlorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 107653464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).