1-(2-cyanoacetyl)piperidine-4-carboxamide

C9H13N3O2 — CID 951683

IUPAC1-(2-cyanoacetyl)piperidine-4-carboxamide
SMILESN#CCC(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C9H13N3O2/c10-4-1-8(13)12-5-2-7(3-6-12)9(11)14/h7H,1-3,5-6H2,(H2,11,14)
InChIKeyQDZGVYBBITWTIU-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.38
Rot. Bonds2

About 1-(2-cyanoacetyl)piperidine-4-carboxamide

1-(2-cyanoacetyl)piperidine-4-carboxamide (PubChem CID 951683) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-(2-cyanoacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyanoacetyl)piperidine-4-carboxamide
PubChem CID951683
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name1-(2-cyanoacetyl)piperidine-4-carboxamide
SMILESN#CCC(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C9H13N3O2/c10-4-1-8(13)12-5-2-7(3-6-12)9(11)14/h7H,1-3,5-6H2,(H2,11,14)
InChIKeyQDZGVYBBITWTIU-UHFFFAOYSA-N
XLogP-0.38
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Methylpiperidino)-3-oxopropanenitrile
CID 300920
1-Acetylpiperidine-4-carboxamide
CID 18474173
1-Butanoylpiperidine-4-carboxamide
CID 17312169
1-(2-Aminoacetyl)piperidine-4-carboxamide
CID 19838833
1-butanoyl-N-tert-butylpiperidine-4-carboxamide
CID 45596615
1-(1-Cyanopropyl)piperidine-4-carboxamide
CID 61702556
4-(4-Ethylpiperidin-1-yl)-4-oxobutanamide
CID 132319233
1-(2,2,2-Trifluoroacetyl)piperidine-4-carboxamide
CID 62491644
1-(2-Cyanoethyl)piperidine-4-carboxamide
CID 2821927
1-(2,2-dimethylpropanoyl)-N-propylpiperidine-4-carboxamide
CID 17224305
1-(cyanomethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 40060670
1-(2,2-Difluoroacetyl)piperidine-4-carboxamide
CID 103600654

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanoacetyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-cyanoacetyl)piperidine-4-carboxamide (CID 951683) is 1-(2-cyanoacetyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-cyanoacetyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-cyanoacetyl)piperidine-4-carboxamide is N#CCC(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-(2-cyanoacetyl)piperidine-4-carboxamide?
The InChIKey is QDZGVYBBITWTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c10-4-1-8(13)12-5-2-7(3-6-12)9(11)14/h7H,1-3,5-6H2,(H2,11,14).
What are the key properties of 1-(2-cyanoacetyl)piperidine-4-carboxamide?
1-(2-cyanoacetyl)piperidine-4-carboxamide has a molecular weight of 195.22 g/mol, XLogP of -0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanoacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 951683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).