2-[(3R)-3-methylpiperazin-1-yl]-N-pentan-2-ylacetamide

C12H25N3O — CID 104975433

IUPAC2-[(3R)-3-methylpiperazin-1-yl]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CN1CCN[C@H](C)C1
InChIInChI=1S/C12H25N3O/c1-4-5-10(2)14-12(16)9-15-7-6-13-11(3)8-15/h10-11,13H,4-9H2,1-3H3,(H,14,16)/t10?,11-/m1/s1
InChIKeyMCCXGUGKQUINPP-RRKGBCIJSA-N
MW227.35 g/mol
LogP0.58
Rot. Bonds5

About 2-[(3R)-3-methylpiperazin-1-yl]-N-pentan-2-ylacetamide

2-[(3R)-3-methylpiperazin-1-yl]-N-pentan-2-ylacetamide (PubChem CID 104975433) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[(3R)-3-methylpiperazin-1-yl]-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[(3R)-3-methylpiperazin-1-yl]-N-pentan-2-ylacetamide
PubChem CID104975433
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-[(3R)-3-methylpiperazin-1-yl]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CN1CCN[C@H](C)C1
InChIInChI=1S/C12H25N3O/c1-4-5-10(2)14-12(16)9-15-7-6-13-11(3)8-15/h10-11,13H,4-9H2,1-3H3,(H,14,16)/t10?,11-/m1/s1
InChIKeyMCCXGUGKQUINPP-RRKGBCIJSA-N
XLogP0.58
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methoxypropan-2-yl)-2-(3-methylpiperazin-1-yl)acetamide
CID 65448068
2-(3-methylpiperazin-1-yl)-N-(1-phenylethyl)acetamide
CID 65448844
N-carbamoyl-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104976909
N-(ethylcarbamoyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104976988
N-(4-methylcyclohexyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975687
1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidine-3-carboxylic acid
CID 43385895
ethyl N-[2-(3-methylpiperazin-1-yl)acetyl]carbamate
CID 65450366
2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-pentan-2-ylacetamide
CID 102682853
2-[(3R)-3-methylpiperazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 104975859
N-methyl-2-[(3R)-3-methylpiperazin-1-yl]-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 104975660
N-heptan-2-yl-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 103898417
ethyl 2-(3-methylpiperazin-1-yl)acetate
CID 65450169

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-methylpiperazin-1-yl]-N-pentan-2-ylacetamide?
The IUPAC name of 2-[(3R)-3-methylpiperazin-1-yl]-N-pentan-2-ylacetamide (CID 104975433) is 2-[(3R)-3-methylpiperazin-1-yl]-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[(3R)-3-methylpiperazin-1-yl]-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[(3R)-3-methylpiperazin-1-yl]-N-pentan-2-ylacetamide is CCCC(C)NC(=O)CN1CCN[C@H](C)C1.
What is the InChIKey of 2-[(3R)-3-methylpiperazin-1-yl]-N-pentan-2-ylacetamide?
The InChIKey is MCCXGUGKQUINPP-RRKGBCIJSA-N. The full InChI is InChI=1S/C12H25N3O/c1-4-5-10(2)14-12(16)9-15-7-6-13-11(3)8-15/h10-11,13H,4-9H2,1-3H3,(H,14,16)/t10?,11-/m1/s1.
What are the key properties of 2-[(3R)-3-methylpiperazin-1-yl]-N-pentan-2-ylacetamide?
2-[(3R)-3-methylpiperazin-1-yl]-N-pentan-2-ylacetamide has a molecular weight of 227.35 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-methylpiperazin-1-yl]-N-pentan-2-ylacetamide is sourced from PubChem (CID 104975433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).