5-methyl-N-pentan-3-ylpiperazine-2-carboxamide

C11H23N3O — CID 63102564

IUPAC5-methyl-N-pentan-3-ylpiperazine-2-carboxamide
SMILESCCC(CC)NC(=O)C1CNC(C)CN1
InChIInChI=1S/C11H23N3O/c1-4-9(5-2)14-11(15)10-7-12-8(3)6-13-10/h8-10,12-13H,4-7H2,1-3H3,(H,14,15)
InChIKeyIAJFOCSNHMVTMT-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.24
Rot. Bonds4

About 5-methyl-N-pentan-3-ylpiperazine-2-carboxamide

5-methyl-N-pentan-3-ylpiperazine-2-carboxamide (PubChem CID 63102564) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 5-methyl-N-pentan-3-ylpiperazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-pentan-3-ylpiperazine-2-carboxamide
PubChem CID63102564
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name5-methyl-N-pentan-3-ylpiperazine-2-carboxamide
SMILESCCC(CC)NC(=O)C1CNC(C)CN1
InChIInChI=1S/C11H23N3O/c1-4-9(5-2)14-11(15)10-7-12-8(3)6-13-10/h8-10,12-13H,4-7H2,1-3H3,(H,14,15)
InChIKeyIAJFOCSNHMVTMT-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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Related Compounds

N-(3-ethylpentan-2-yl)-5-methylpiperazine-2-carboxamide
CID 63837288
5-methyl-N-(2-methylpentan-3-yl)piperazine-2-carboxamide
CID 63104022
5-methyl-N-(4,4,4-trifluorobutan-2-yl)piperazine-2-carboxamide
CID 114130979
5-oxo-N-pentan-3-ylpiperazine-2-carboxamide
CID 107433338
N-(2-amino-2-oxoethyl)-5-methylpiperazine-2-carboxamide
CID 63102938
N-(2-methoxypropyl)-5-methylpiperazine-2-carboxamide
CID 102698384
N-(1-amino-2-methyl-1-oxobutan-2-yl)-5-methylpiperazine-2-carboxamide
CID 112738250
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methylpiperazine-2-carboxamide
CID 63104541
N-pentan-3-yl-4-(prop-2-enoylamino)pyrrolidine-2-carboxamide
CID 123340690
N-[2-[ethyl(methyl)amino]ethyl]-5-methylpiperazine-2-carboxamide
CID 63102583
5-methyl-N-(4-methylpiperazin-1-yl)piperazine-2-carboxamide
CID 83016765
methyl (2S,5S)-5-methylpiperazine-2-carboxylate
CID 124669231

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-pentan-3-ylpiperazine-2-carboxamide?
The IUPAC name of 5-methyl-N-pentan-3-ylpiperazine-2-carboxamide (CID 63102564) is 5-methyl-N-pentan-3-ylpiperazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-pentan-3-ylpiperazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-pentan-3-ylpiperazine-2-carboxamide is CCC(CC)NC(=O)C1CNC(C)CN1.
What is the InChIKey of 5-methyl-N-pentan-3-ylpiperazine-2-carboxamide?
The InChIKey is IAJFOCSNHMVTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-4-9(5-2)14-11(15)10-7-12-8(3)6-13-10/h8-10,12-13H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 5-methyl-N-pentan-3-ylpiperazine-2-carboxamide?
5-methyl-N-pentan-3-ylpiperazine-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 5-methyl-N-pentan-3-ylpiperazine-2-carboxamide is sourced from PubChem (CID 63102564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).