N-(cyanomethyl)piperazine-1-carboxamide

C7H12N4O — CID 108864637

IUPACN-(cyanomethyl)piperazine-1-carboxamide
SMILESN#CCNC(=O)N1CCNCC1
InChIInChI=1S/C7H12N4O/c8-1-2-10-7(12)11-5-3-9-4-6-11/h9H,2-6H2,(H,10,12)
InChIKeyVVCNSWRLYFCYLZ-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.88
Rot. Bonds1

About N-(cyanomethyl)piperazine-1-carboxamide

N-(cyanomethyl)piperazine-1-carboxamide (PubChem CID 108864637) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is N-(cyanomethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)piperazine-1-carboxamide
PubChem CID108864637
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC NameN-(cyanomethyl)piperazine-1-carboxamide
SMILESN#CCNC(=O)N1CCNCC1
InChIInChI=1S/C7H12N4O/c8-1-2-10-7(12)11-5-3-9-4-6-11/h9H,2-6H2,(H,10,12)
InChIKeyVVCNSWRLYFCYLZ-UHFFFAOYSA-N
XLogP-0.88
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethylpiperazine-1-carboxamide
CID 9207783
N-(cyanomethyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 54903898
N-(3-hydroxypropyl)piperazine-1-carboxamide
CID 127561442
2-hydroxy-2-methyl-3-(piperazine-1-carbonylamino)propanoic acid
CID 66177206
2-oxo-2-piperazin-1-yl-N-prop-2-ynylacetamide
CID 82505400
3-[(piperazine-1-carbonylamino)methyl]pentanoic acid
CID 81069478
N-[(3,5-dimethylphenyl)methyl]piperazine-1-carboxamide
CID 134452395
N-ethyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazine-1-carboxamide;hydrochloride
CID 120980560
N-(cyanomethyl)-2-pyrazolidin-1-ylacetamide
CID 131059611
N-tert-butylpiperazine-1-carboxamide;hydrochloride
CID 67462166
N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide
CID 82086575
N-(cyanomethyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82755097

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)piperazine-1-carboxamide?
The IUPAC name of N-(cyanomethyl)piperazine-1-carboxamide (CID 108864637) is N-(cyanomethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(cyanomethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(cyanomethyl)piperazine-1-carboxamide is N#CCNC(=O)N1CCNCC1.
What is the InChIKey of N-(cyanomethyl)piperazine-1-carboxamide?
The InChIKey is VVCNSWRLYFCYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c8-1-2-10-7(12)11-5-3-9-4-6-11/h9H,2-6H2,(H,10,12).
What are the key properties of N-(cyanomethyl)piperazine-1-carboxamide?
N-(cyanomethyl)piperazine-1-carboxamide has a molecular weight of 168.20 g/mol, XLogP of -0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)piperazine-1-carboxamide is sourced from PubChem (CID 108864637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).