N-[1-(cyanomethyl)piperidin-4-yl]bicyclo[4.1.0]heptane-7-carboxamide

C15H23N3O — CID 79208845

IUPACN-[1-(cyanomethyl)piperidin-4-yl]bicyclo[4.1.0]heptane-7-carboxamide
SMILESN#CCN1CCC(NC(=O)C2C3CCCCC32)CC1
InChIInChI=1S/C15H23N3O/c16-7-10-18-8-5-11(6-9-18)17-15(19)14-12-3-1-2-4-13(12)14/h11-14H,1-6,8-10H2,(H,17,19)
InChIKeyWBLCLLHRZXMCGC-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.53
Rot. Bonds3

About N-[1-(cyanomethyl)piperidin-4-yl]bicyclo[4.1.0]heptane-7-carboxamide

N-[1-(cyanomethyl)piperidin-4-yl]bicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 79208845) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[1-(cyanomethyl)piperidin-4-yl]bicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound NameN-[1-(cyanomethyl)piperidin-4-yl]bicyclo[4.1.0]heptane-7-carboxamide
PubChem CID79208845
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[1-(cyanomethyl)piperidin-4-yl]bicyclo[4.1.0]heptane-7-carboxamide
SMILESN#CCN1CCC(NC(=O)C2C3CCCCC32)CC1
InChIInChI=1S/C15H23N3O/c16-7-10-18-8-5-11(6-9-18)17-15(19)14-12-3-1-2-4-13(12)14/h11-14H,1-6,8-10H2,(H,17,19)
InChIKeyWBLCLLHRZXMCGC-UHFFFAOYSA-N
XLogP1.53
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

N-[1-(cyanomethyl)piperidin-4-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 79673254
1-[1-(cyanomethyl)piperidin-4-yl]-3-methylurea
CID 78948240
N-cyclohexylbicyclo[3.1.0]hexane-6-carboxamide
CID 79600191
N-[1-(cyanomethyl)piperidin-4-yl]-3-methylbutanamide
CID 63626076
N-[1-(cyanomethyl)piperidin-4-yl]-2-propylpentanamide
CID 115532353
[1-(cyanomethyl)piperidin-4-yl]methyl N-cyclopentylcarbamate;hydrochloride
CID 86659135
N-[1-(cyanomethyl)piperidin-4-yl]-2,6-dihydroxybenzamide
CID 103890464
N-[1-(cyanomethyl)piperidin-4-yl]-2-propan-2-yloxyacetamide
CID 112690099
N-[1-(cyanomethyl)piperidin-4-yl]-4-iodobenzamide
CID 63627664
N-[1-(cyanomethyl)piperidin-4-yl]-3,5-dimethylbenzamide
CID 63625203
N-[(3R)-1-(cyanomethyl)pyrrolidin-3-yl]-2-methylpropanamide
CID 156532471
2-[4-(cyanomethyl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
CID 47280168

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyanomethyl)piperidin-4-yl]bicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of N-[1-(cyanomethyl)piperidin-4-yl]bicyclo[4.1.0]heptane-7-carboxamide (CID 79208845) is N-[1-(cyanomethyl)piperidin-4-yl]bicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for N-[1-(cyanomethyl)piperidin-4-yl]bicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for N-[1-(cyanomethyl)piperidin-4-yl]bicyclo[4.1.0]heptane-7-carboxamide is N#CCN1CCC(NC(=O)C2C3CCCCC32)CC1.
What is the InChIKey of N-[1-(cyanomethyl)piperidin-4-yl]bicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is WBLCLLHRZXMCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c16-7-10-18-8-5-11(6-9-18)17-15(19)14-12-3-1-2-4-13(12)14/h11-14H,1-6,8-10H2,(H,17,19).
What are the key properties of N-[1-(cyanomethyl)piperidin-4-yl]bicyclo[4.1.0]heptane-7-carboxamide?
N-[1-(cyanomethyl)piperidin-4-yl]bicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyanomethyl)piperidin-4-yl]bicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 79208845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).