4-(3-methylbutanoyl)piperazine-2-carboxamide

C10H19N3O2 — CID 142644148

IUPAC4-(3-methylbutanoyl)piperazine-2-carboxamide
SMILESCC(C)CC(=O)N1CCNC(C(N)=O)C1
InChIInChI=1S/C10H19N3O2/c1-7(2)5-9(14)13-4-3-12-8(6-13)10(11)15/h7-8,12H,3-6H2,1-2H3,(H2,11,15)
InChIKeyBMEWWFLJSOKGFZ-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.68
Rot. Bonds3

About 4-(3-methylbutanoyl)piperazine-2-carboxamide

4-(3-methylbutanoyl)piperazine-2-carboxamide (PubChem CID 142644148) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-(3-methylbutanoyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name4-(3-methylbutanoyl)piperazine-2-carboxamide
PubChem CID142644148
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name4-(3-methylbutanoyl)piperazine-2-carboxamide
SMILESCC(C)CC(=O)N1CCNC(C(N)=O)C1
InChIInChI=1S/C10H19N3O2/c1-7(2)5-9(14)13-4-3-12-8(6-13)10(11)15/h7-8,12H,3-6H2,1-2H3,(H2,11,15)
InChIKeyBMEWWFLJSOKGFZ-UHFFFAOYSA-N
XLogP-0.68
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutanoyl)piperazine-2-carboxamide?
The IUPAC name of 4-(3-methylbutanoyl)piperazine-2-carboxamide (CID 142644148) is 4-(3-methylbutanoyl)piperazine-2-carboxamide.
What is the SMILES notation for 4-(3-methylbutanoyl)piperazine-2-carboxamide?
The canonical SMILES for 4-(3-methylbutanoyl)piperazine-2-carboxamide is CC(C)CC(=O)N1CCNC(C(N)=O)C1.
What is the InChIKey of 4-(3-methylbutanoyl)piperazine-2-carboxamide?
The InChIKey is BMEWWFLJSOKGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-7(2)5-9(14)13-4-3-12-8(6-13)10(11)15/h7-8,12H,3-6H2,1-2H3,(H2,11,15).
What are the key properties of 4-(3-methylbutanoyl)piperazine-2-carboxamide?
4-(3-methylbutanoyl)piperazine-2-carboxamide has a molecular weight of 213.28 g/mol, XLogP of -0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutanoyl)piperazine-2-carboxamide is sourced from PubChem (CID 142644148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).