N-[1-(cyanomethyl)piperidin-4-yl]bicyclo[3.1.0]hexane-6-carboxamide

C14H21N3O — CID 79673254

IUPACN-[1-(cyanomethyl)piperidin-4-yl]bicyclo[3.1.0]hexane-6-carboxamide
SMILESN#CCN1CCC(NC(=O)C2C3CCCC32)CC1
InChIInChI=1S/C14H21N3O/c15-6-9-17-7-4-10(5-8-17)16-14(18)13-11-2-1-3-12(11)13/h10-13H,1-5,7-9H2,(H,16,18)
InChIKeyIAQWUZDZBRDEAB-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.14
Rot. Bonds3

About N-[1-(cyanomethyl)piperidin-4-yl]bicyclo[3.1.0]hexane-6-carboxamide

N-[1-(cyanomethyl)piperidin-4-yl]bicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 79673254) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[1-(cyanomethyl)piperidin-4-yl]bicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-[1-(cyanomethyl)piperidin-4-yl]bicyclo[3.1.0]hexane-6-carboxamide
PubChem CID79673254
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-[1-(cyanomethyl)piperidin-4-yl]bicyclo[3.1.0]hexane-6-carboxamide
SMILESN#CCN1CCC(NC(=O)C2C3CCCC32)CC1
InChIInChI=1S/C14H21N3O/c15-6-9-17-7-4-10(5-8-17)16-14(18)13-11-2-1-3-12(11)13/h10-13H,1-5,7-9H2,(H,16,18)
InChIKeyIAQWUZDZBRDEAB-UHFFFAOYSA-N
XLogP1.14
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.14
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[4.1.0]heptane-7-carboxamide
CID 79208845
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
N-[1-(cyanomethyl)piperidin-4-yl]-2,6-dihydroxybenzamide
CID 103890464
N-[1-(cyanomethyl)piperidin-4-yl]-2-propan-2-yloxyacetamide
CID 112690099
N-(4-aminocyclohexyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 81478190
N-[1-(cyanomethyl)piperidin-4-yl]-4-iodobenzamide
CID 63627664
[1-(cyanomethyl)piperidin-4-yl]methyl N-cyclopentylcarbamate;hydrochloride
CID 86659135
N-[1-(cyanomethyl)piperidin-4-yl]-3,5-dimethylbenzamide
CID 63625203
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[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-[1-(cyanomethyl)piperidin-4-yl]bicyclo[3.1.0]hexane-6-carboxamide (CID 79673254) is N-[1-(cyanomethyl)piperidin-4-yl]bicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-[1-(cyanomethyl)piperidin-4-yl]bicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-[1-(cyanomethyl)piperidin-4-yl]bicyclo[3.1.0]hexane-6-carboxamide is N#CCN1CCC(NC(=O)C2C3CCCC32)CC1.
What is the InChIKey of N-[1-(cyanomethyl)piperidin-4-yl]bicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is IAQWUZDZBRDEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c15-6-9-17-7-4-10(5-8-17)16-14(18)13-11-2-1-3-12(11)13/h10-13H,1-5,7-9H2,(H,16,18).
What are the key properties of N-[1-(cyanomethyl)piperidin-4-yl]bicyclo[3.1.0]hexane-6-carboxamide?
N-[1-(cyanomethyl)piperidin-4-yl]bicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 1.14, 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[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 79673254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).