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

C12H25N3O — CID 63104022

IUPAC5-methyl-N-(2-methylpentan-3-yl)piperazine-2-carboxamide
SMILESCCC(NC(=O)C1CNC(C)CN1)C(C)C
InChIInChI=1S/C12H25N3O/c1-5-10(8(2)3)15-12(16)11-7-13-9(4)6-14-11/h8-11,13-14H,5-7H2,1-4H3,(H,15,16)
InChIKeyBIQODIYKKLBKGT-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.49
Rot. Bonds4

About 5-methyl-N-(2-methylpentan-3-yl)piperazine-2-carboxamide

5-methyl-N-(2-methylpentan-3-yl)piperazine-2-carboxamide (PubChem CID 63104022) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 5-methyl-N-(2-methylpentan-3-yl)piperazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-methylpentan-3-yl)piperazine-2-carboxamide
PubChem CID63104022
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name5-methyl-N-(2-methylpentan-3-yl)piperazine-2-carboxamide
SMILESCCC(NC(=O)C1CNC(C)CN1)C(C)C
InChIInChI=1S/C12H25N3O/c1-5-10(8(2)3)15-12(16)11-7-13-9(4)6-14-11/h8-11,13-14H,5-7H2,1-4H3,(H,15,16)
InChIKeyBIQODIYKKLBKGT-UHFFFAOYSA-N
XLogP0.49
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-methyl-N-(2-methylpentan-3-yl)piperazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-N-pentan-3-ylpiperazine-2-carboxamide
CID 63102564
N-(3-ethylpentan-2-yl)-5-methylpiperazine-2-carboxamide
CID 63837288
5-methyl-N-(4,4,4-trifluorobutan-2-yl)piperazine-2-carboxamide
CID 114130979
N-(2-methoxypropyl)-5-methylpiperazine-2-carboxamide
CID 102698384
N-ethyl-5-methyl-N-(2-methylbutyl)piperazine-2-carboxamide
CID 79470493
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methylpiperazine-2-carboxamide
CID 63104541
N-(2-amino-2-oxoethyl)-5-methylpiperazine-2-carboxamide
CID 63102938
N-(2-methylpentan-3-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102892730
N-(1-amino-2-methyl-1-oxobutan-2-yl)-5-methylpiperazine-2-carboxamide
CID 112738250
N-[2-[ethyl(methyl)amino]ethyl]-5-methylpiperazine-2-carboxamide
CID 63102583
methyl (2S,5S)-5-methylpiperazine-2-carboxylate
CID 124669231
N-(2,6-diethylphenyl)-5-methylpiperazine-2-carboxamide
CID 63102745

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methylpentan-3-yl)piperazine-2-carboxamide?
The IUPAC name of 5-methyl-N-(2-methylpentan-3-yl)piperazine-2-carboxamide (CID 63104022) is 5-methyl-N-(2-methylpentan-3-yl)piperazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-methylpentan-3-yl)piperazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-(2-methylpentan-3-yl)piperazine-2-carboxamide is CCC(NC(=O)C1CNC(C)CN1)C(C)C.
What is the InChIKey of 5-methyl-N-(2-methylpentan-3-yl)piperazine-2-carboxamide?
The InChIKey is BIQODIYKKLBKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-5-10(8(2)3)15-12(16)11-7-13-9(4)6-14-11/h8-11,13-14H,5-7H2,1-4H3,(H,15,16).
What are the key properties of 5-methyl-N-(2-methylpentan-3-yl)piperazine-2-carboxamide?
5-methyl-N-(2-methylpentan-3-yl)piperazine-2-carboxamide has a molecular weight of 227.35 g/mol, XLogP of 0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methylpentan-3-yl)piperazine-2-carboxamide is sourced from PubChem (CID 63104022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).