3-(2-methylpropyl)piperazine-1-carboxamide

C9H19N3O — CID 90242604

IUPAC3-(2-methylpropyl)piperazine-1-carboxamide
SMILESCC(C)CC1CN(C(N)=O)CCN1
InChIInChI=1S/C9H19N3O/c1-7(2)5-8-6-12(9(10)13)4-3-11-8/h7-8,11H,3-6H2,1-2H3,(H2,10,13)
InChIKeyROYHNQDGQPJESS-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.38
Rot. Bonds2

About 3-(2-methylpropyl)piperazine-1-carboxamide

3-(2-methylpropyl)piperazine-1-carboxamide (PubChem CID 90242604) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-(2-methylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name3-(2-methylpropyl)piperazine-1-carboxamide
PubChem CID90242604
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name3-(2-methylpropyl)piperazine-1-carboxamide
SMILESCC(C)CC1CN(C(N)=O)CCN1
InChIInChI=1S/C9H19N3O/c1-7(2)5-8-6-12(9(10)13)4-3-11-8/h7-8,11H,3-6H2,1-2H3,(H2,10,13)
InChIKeyROYHNQDGQPJESS-UHFFFAOYSA-N
XLogP0.38
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)piperazine-1-carboxamide?
The IUPAC name of 3-(2-methylpropyl)piperazine-1-carboxamide (CID 90242604) is 3-(2-methylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for 3-(2-methylpropyl)piperazine-1-carboxamide?
The canonical SMILES for 3-(2-methylpropyl)piperazine-1-carboxamide is CC(C)CC1CN(C(N)=O)CCN1.
What is the InChIKey of 3-(2-methylpropyl)piperazine-1-carboxamide?
The InChIKey is ROYHNQDGQPJESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-7(2)5-8-6-12(9(10)13)4-3-11-8/h7-8,11H,3-6H2,1-2H3,(H2,10,13).
What are the key properties of 3-(2-methylpropyl)piperazine-1-carboxamide?
3-(2-methylpropyl)piperazine-1-carboxamide has a molecular weight of 185.27 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 90242604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).