4-(cyanomethyl)-N-propylpiperazine-1-carboxamide

C10H18N4O — CID 60969051

IUPAC4-(cyanomethyl)-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(CC#N)CC1
InChIInChI=1S/C10H18N4O/c1-2-4-12-10(15)14-8-6-13(5-3-11)7-9-14/h2,4-9H2,1H3,(H,12,15)
InChIKeyCUSABRBVRVUDJS-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.25
Rot. Bonds3

About 4-(cyanomethyl)-N-propylpiperazine-1-carboxamide

4-(cyanomethyl)-N-propylpiperazine-1-carboxamide (PubChem CID 60969051) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-(cyanomethyl)-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(cyanomethyl)-N-propylpiperazine-1-carboxamide
PubChem CID60969051
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name4-(cyanomethyl)-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(CC#N)CC1
InChIInChI=1S/C10H18N4O/c1-2-4-12-10(15)14-8-6-13(5-3-11)7-9-14/h2,4-9H2,1H3,(H,12,15)
InChIKeyCUSABRBVRVUDJS-UHFFFAOYSA-N
XLogP0.25
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.25
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

4-butanoyl-N-propylpiperazine-1-carboxamide
CID 110810606
4-(2,2-dimethylpropanoyl)-N-propylpiperazine-1-carboxamide
CID 110810662
N-butylaziridine-1-carboxamide
CID 55206947
N-propylmorpholine-4-carboxamide
CID 3410822
4-(cyclopropanecarbonyl)-N-propylpiperazine-1-carboxamide
CID 23794806
4-methyl-N-propylpiperidine-1-carboxamide
CID 19169940
2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]acetonitrile
CID 63336804
propan-2-yl 4-(cyanomethyl)piperazine-1-carboxylate
CID 63336764
4-(4-cyanobutyl)-N-ethylpiperazine-1-carboxamide
CID 87013481
N-(cyanomethyl)-2-[4-(cyanomethyl)piperazin-1-yl]acetamide
CID 55218311
4-(cyclopentanecarbonyl)-N-propylpiperazine-1-carboxamide
CID 110364786
4-[(2-methylphenyl)methyl]-N-propylpiperazine-1-carboxamide
CID 47120804

Frequently Asked Questions

What is the IUPAC name of 4-(cyanomethyl)-N-propylpiperazine-1-carboxamide?
The IUPAC name of 4-(cyanomethyl)-N-propylpiperazine-1-carboxamide (CID 60969051) is 4-(cyanomethyl)-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(cyanomethyl)-N-propylpiperazine-1-carboxamide?
The canonical SMILES for 4-(cyanomethyl)-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCN(CC#N)CC1.
What is the InChIKey of 4-(cyanomethyl)-N-propylpiperazine-1-carboxamide?
The InChIKey is CUSABRBVRVUDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-2-4-12-10(15)14-8-6-13(5-3-11)7-9-14/h2,4-9H2,1H3,(H,12,15).
What are the key properties of 4-(cyanomethyl)-N-propylpiperazine-1-carboxamide?
4-(cyanomethyl)-N-propylpiperazine-1-carboxamide has a molecular weight of 210.28 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyanomethyl)-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 60969051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).