4-(3-methylbutanoyl)-N-(2-methylpropyl)piperazine-1-carboxamide

C14H27N3O2 — CID 23962489

IUPAC4-(3-methylbutanoyl)-N-(2-methylpropyl)piperazine-1-carboxamide
SMILESCC(C)CNC(=O)N1CCN(C(=O)CC(C)C)CC1
InChIInChI=1S/C14H27N3O2/c1-11(2)9-13(18)16-5-7-17(8-6-16)14(19)15-10-12(3)4/h11-12H,5-10H2,1-4H3,(H,15,19)
InChIKeyHLLNLKNMBJLMJK-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.54
Rot. Bonds4

About 4-(3-methylbutanoyl)-N-(2-methylpropyl)piperazine-1-carboxamide

4-(3-methylbutanoyl)-N-(2-methylpropyl)piperazine-1-carboxamide (PubChem CID 23962489) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-(3-methylbutanoyl)-N-(2-methylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-methylbutanoyl)-N-(2-methylpropyl)piperazine-1-carboxamide
PubChem CID23962489
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name4-(3-methylbutanoyl)-N-(2-methylpropyl)piperazine-1-carboxamide
SMILESCC(C)CNC(=O)N1CCN(C(=O)CC(C)C)CC1
InChIInChI=1S/C14H27N3O2/c1-11(2)9-13(18)16-5-7-17(8-6-16)14(19)15-10-12(3)4/h11-12H,5-10H2,1-4H3,(H,15,19)
InChIKeyHLLNLKNMBJLMJK-UHFFFAOYSA-N
XLogP1.54
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutanoyl)-N-(2-methylpropyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-methylbutanoyl)-N-(2-methylpropyl)piperazine-1-carboxamide (CID 23962489) is 4-(3-methylbutanoyl)-N-(2-methylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-methylbutanoyl)-N-(2-methylpropyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-methylbutanoyl)-N-(2-methylpropyl)piperazine-1-carboxamide is CC(C)CNC(=O)N1CCN(C(=O)CC(C)C)CC1.
What is the InChIKey of 4-(3-methylbutanoyl)-N-(2-methylpropyl)piperazine-1-carboxamide?
The InChIKey is HLLNLKNMBJLMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-11(2)9-13(18)16-5-7-17(8-6-16)14(19)15-10-12(3)4/h11-12H,5-10H2,1-4H3,(H,15,19).
What are the key properties of 4-(3-methylbutanoyl)-N-(2-methylpropyl)piperazine-1-carboxamide?
4-(3-methylbutanoyl)-N-(2-methylpropyl)piperazine-1-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutanoyl)-N-(2-methylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 23962489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).