4-(1-cyanoethyl)-N-cyclopropylpiperazine-1-carboxamide

C11H18N4O — CID 55218893

IUPAC4-(1-cyanoethyl)-N-cyclopropylpiperazine-1-carboxamide
SMILESCC(C#N)N1CCN(C(=O)NC2CC2)CC1
InChIInChI=1S/C11H18N4O/c1-9(8-12)14-4-6-15(7-5-14)11(16)13-10-2-3-10/h9-10H,2-7H2,1H3,(H,13,16)
InChIKeyOOGJFBSMDZZIND-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.39
Rot. Bonds2

About 4-(1-cyanoethyl)-N-cyclopropylpiperazine-1-carboxamide

4-(1-cyanoethyl)-N-cyclopropylpiperazine-1-carboxamide (PubChem CID 55218893) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-(1-cyanoethyl)-N-cyclopropylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(1-cyanoethyl)-N-cyclopropylpiperazine-1-carboxamide
PubChem CID55218893
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-(1-cyanoethyl)-N-cyclopropylpiperazine-1-carboxamide
SMILESCC(C#N)N1CCN(C(=O)NC2CC2)CC1
InChIInChI=1S/C11H18N4O/c1-9(8-12)14-4-6-15(7-5-14)11(16)13-10-2-3-10/h9-10H,2-7H2,1H3,(H,13,16)
InChIKeyOOGJFBSMDZZIND-UHFFFAOYSA-N
XLogP0.39
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-aminopropan-2-yl)-N-cyclopropylpiperazine-1-carboxamide
CID 63338975
2-[4-(2-cyclopropylpropanoyl)piperazin-1-yl]propanenitrile
CID 83155007
4-(1-cyanoethyl)piperazine-1-carboxamide
CID 63341285
2-[4-(2-methylcyclopentanecarbonyl)piperazin-1-yl]propanenitrile
CID 107178572
methyl 1-(1-cyanoethyl)piperidine-4-carboxylate
CID 60644934
4-(2,2-dimethylpropanoyl)-N-(4-propan-2-ylcyclohexyl)piperazine-1-carboxamide
CID 168727019
2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]propanenitrile
CID 63337376
4-methylsulfonyl-N-(4-propan-2-ylcyclohexyl)piperazine-1-carboxamide
CID 146393563
2-[4-(1-cyanoethyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 63341284
4-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide
CID 162725913
1-N-cyclopropyl-4-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 47177764
2-methylpropyl 4-(1-cyanoethyl)piperazine-1-carboxylate
CID 63340810

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyanoethyl)-N-cyclopropylpiperazine-1-carboxamide?
The IUPAC name of 4-(1-cyanoethyl)-N-cyclopropylpiperazine-1-carboxamide (CID 55218893) is 4-(1-cyanoethyl)-N-cyclopropylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(1-cyanoethyl)-N-cyclopropylpiperazine-1-carboxamide?
The canonical SMILES for 4-(1-cyanoethyl)-N-cyclopropylpiperazine-1-carboxamide is CC(C#N)N1CCN(C(=O)NC2CC2)CC1.
What is the InChIKey of 4-(1-cyanoethyl)-N-cyclopropylpiperazine-1-carboxamide?
The InChIKey is OOGJFBSMDZZIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-9(8-12)14-4-6-15(7-5-14)11(16)13-10-2-3-10/h9-10H,2-7H2,1H3,(H,13,16).
What are the key properties of 4-(1-cyanoethyl)-N-cyclopropylpiperazine-1-carboxamide?
4-(1-cyanoethyl)-N-cyclopropylpiperazine-1-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyanoethyl)-N-cyclopropylpiperazine-1-carboxamide is sourced from PubChem (CID 55218893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).