1-(3-chloro-2-cyanophenyl)piperidine-4-carboxamide

C13H14ClN3O — CID 2805611

IUPAC1-(3-chloro-2-cyanophenyl)piperidine-4-carboxamide
SMILESN#Cc1c(Cl)cccc1N1CCC(C(N)=O)CC1
InChIInChI=1S/C13H14ClN3O/c14-11-2-1-3-12(10(11)8-15)17-6-4-9(5-7-17)13(16)18/h1-3,9H,4-7H2,(H2,16,18)
InChIKeyQXNUSGSGBYWPRC-UHFFFAOYSA-N
MW263.73 g/mol
LogP1.91
Rot. Bonds2

About 1-(3-chloro-2-cyanophenyl)piperidine-4-carboxamide

1-(3-chloro-2-cyanophenyl)piperidine-4-carboxamide (PubChem CID 2805611) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 1-(3-chloro-2-cyanophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-2-cyanophenyl)piperidine-4-carboxamide
PubChem CID2805611
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name1-(3-chloro-2-cyanophenyl)piperidine-4-carboxamide
SMILESN#Cc1c(Cl)cccc1N1CCC(C(N)=O)CC1
InChIInChI=1S/C13H14ClN3O/c14-11-2-1-3-12(10(11)8-15)17-6-4-9(5-7-17)13(16)18/h1-3,9H,4-7H2,(H2,16,18)
InChIKeyQXNUSGSGBYWPRC-UHFFFAOYSA-N
XLogP1.91
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-cyanophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-chloro-2-cyanophenyl)piperidine-4-carboxamide (CID 2805611) is 1-(3-chloro-2-cyanophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-chloro-2-cyanophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-chloro-2-cyanophenyl)piperidine-4-carboxamide is N#Cc1c(Cl)cccc1N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-(3-chloro-2-cyanophenyl)piperidine-4-carboxamide?
The InChIKey is QXNUSGSGBYWPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c14-11-2-1-3-12(10(11)8-15)17-6-4-9(5-7-17)13(16)18/h1-3,9H,4-7H2,(H2,16,18).
What are the key properties of 1-(3-chloro-2-cyanophenyl)piperidine-4-carboxamide?
1-(3-chloro-2-cyanophenyl)piperidine-4-carboxamide has a molecular weight of 263.73 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-cyanophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 2805611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).