4-(cyclopropanecarbonyl)-N-(2-methylpropyl)piperazine-1-carboxamide

C13H23N3O2 — CID 23904186

IUPAC4-(cyclopropanecarbonyl)-N-(2-methylpropyl)piperazine-1-carboxamide
SMILESCC(C)CNC(=O)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C13H23N3O2/c1-10(2)9-14-13(18)16-7-5-15(6-8-16)12(17)11-3-4-11/h10-11H,3-9H2,1-2H3,(H,14,18)
InChIKeyCFEACTALJRZDAX-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.91
Rot. Bonds3

About 4-(cyclopropanecarbonyl)-N-(2-methylpropyl)piperazine-1-carboxamide

4-(cyclopropanecarbonyl)-N-(2-methylpropyl)piperazine-1-carboxamide (PubChem CID 23904186) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-(cyclopropanecarbonyl)-N-(2-methylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonyl)-N-(2-methylpropyl)piperazine-1-carboxamide
PubChem CID23904186
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name4-(cyclopropanecarbonyl)-N-(2-methylpropyl)piperazine-1-carboxamide
SMILESCC(C)CNC(=O)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C13H23N3O2/c1-10(2)9-14-13(18)16-7-5-15(6-8-16)12(17)11-3-4-11/h10-11H,3-9H2,1-2H3,(H,14,18)
InChIKeyCFEACTALJRZDAX-UHFFFAOYSA-N
XLogP0.91
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonyl)-N-(2-methylpropyl)piperazine-1-carboxamide?
The IUPAC name of 4-(cyclopropanecarbonyl)-N-(2-methylpropyl)piperazine-1-carboxamide (CID 23904186) is 4-(cyclopropanecarbonyl)-N-(2-methylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(cyclopropanecarbonyl)-N-(2-methylpropyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(cyclopropanecarbonyl)-N-(2-methylpropyl)piperazine-1-carboxamide is CC(C)CNC(=O)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 4-(cyclopropanecarbonyl)-N-(2-methylpropyl)piperazine-1-carboxamide?
The InChIKey is CFEACTALJRZDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-10(2)9-14-13(18)16-7-5-15(6-8-16)12(17)11-3-4-11/h10-11H,3-9H2,1-2H3,(H,14,18).
What are the key properties of 4-(cyclopropanecarbonyl)-N-(2-methylpropyl)piperazine-1-carboxamide?
4-(cyclopropanecarbonyl)-N-(2-methylpropyl)piperazine-1-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonyl)-N-(2-methylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 23904186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).