N-(3-methylpentan-3-yl)piperazine-2-carboxamide

C11H23N3O — CID 106329297

IUPACN-(3-methylpentan-3-yl)piperazine-2-carboxamide
SMILESCCC(C)(CC)NC(=O)C1CNCCN1
InChIInChI=1S/C11H23N3O/c1-4-11(3,5-2)14-10(15)9-8-12-6-7-13-9/h9,12-13H,4-8H2,1-3H3,(H,14,15)
InChIKeyJOBGSKSPRXDAFK-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.24
Rot. Bonds4

About N-(3-methylpentan-3-yl)piperazine-2-carboxamide

N-(3-methylpentan-3-yl)piperazine-2-carboxamide (PubChem CID 106329297) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is N-(3-methylpentan-3-yl)piperazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-methylpentan-3-yl)piperazine-2-carboxamide
PubChem CID106329297
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC NameN-(3-methylpentan-3-yl)piperazine-2-carboxamide
SMILESCCC(C)(CC)NC(=O)C1CNCCN1
InChIInChI=1S/C11H23N3O/c1-4-11(3,5-2)14-10(15)9-8-12-6-7-13-9/h9,12-13H,4-8H2,1-3H3,(H,14,15)
InChIKeyJOBGSKSPRXDAFK-UHFFFAOYSA-N
XLogP0.24
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylpentan-3-yl)piperazine-2-carboxamide?
The IUPAC name of N-(3-methylpentan-3-yl)piperazine-2-carboxamide (CID 106329297) is N-(3-methylpentan-3-yl)piperazine-2-carboxamide.
What is the SMILES notation for N-(3-methylpentan-3-yl)piperazine-2-carboxamide?
The canonical SMILES for N-(3-methylpentan-3-yl)piperazine-2-carboxamide is CCC(C)(CC)NC(=O)C1CNCCN1.
What is the InChIKey of N-(3-methylpentan-3-yl)piperazine-2-carboxamide?
The InChIKey is JOBGSKSPRXDAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-4-11(3,5-2)14-10(15)9-8-12-6-7-13-9/h9,12-13H,4-8H2,1-3H3,(H,14,15).
What are the key properties of N-(3-methylpentan-3-yl)piperazine-2-carboxamide?
N-(3-methylpentan-3-yl)piperazine-2-carboxamide has a molecular weight of 213.32 g/mol, XLogP of 0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpentan-3-yl)piperazine-2-carboxamide is sourced from PubChem (CID 106329297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).