1-ethyl-4-(2-methylpropyl)piperazin-2-one

C10H20N2O — CID 117013553

IUPAC1-ethyl-4-(2-methylpropyl)piperazin-2-one
SMILESCCN1CCN(CC(C)C)CC1=O
InChIInChI=1S/C10H20N2O/c1-4-12-6-5-11(7-9(2)3)8-10(12)13/h9H,4-8H2,1-3H3
InChIKeyDNKGTOMOEXWFAJ-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.81
Rot. Bonds3

About 1-ethyl-4-(2-methylpropyl)piperazin-2-one

1-ethyl-4-(2-methylpropyl)piperazin-2-one (PubChem CID 117013553) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-ethyl-4-(2-methylpropyl)piperazin-2-one.

Molecular Properties

Compound Name1-ethyl-4-(2-methylpropyl)piperazin-2-one
PubChem CID117013553
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-ethyl-4-(2-methylpropyl)piperazin-2-one
SMILESCCN1CCN(CC(C)C)CC1=O
InChIInChI=1S/C10H20N2O/c1-4-12-6-5-11(7-9(2)3)8-10(12)13/h9H,4-8H2,1-3H3
InChIKeyDNKGTOMOEXWFAJ-UHFFFAOYSA-N
XLogP0.81
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-4-(2-hydroxy-3-methylpentyl)piperazin-2-one;3-methylpentan-2-ol
CID 156741773
1,4,7,10-tetrakis(2-methylpropyl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
CID 146611403
4-benzyl-1-ethylpiperazin-2-one;ethane
CID 143408188
1-ethyl-4-hept-4-enylpiperazin-2-one
CID 171138334
1-ethyl-4-(pyridin-4-ylmethyl)piperazin-2-one
CID 117013569
4-ethyl-1-(1-sulfanylethyl)piperazin-2-one
CID 147733047
1-(2-hydroxyethyl)-4-(3-methylbutyl)piperazin-2-one
CID 164595271
1-(cyclopropylmethyl)-4-ethylpiperazin-2-one
CID 170709327
1-butyl-4-(2,3-dihydroxypropyl)piperazin-2-one
CID 131941282
4-[(5-tert-butyl-2-pyridinyl)methyl]-1-ethylpiperazin-2-one
CID 176702548
1-[1-(disulfanyl)ethyl]-4-ethylpiperazin-2-one
CID 138608025
2-[4-(2-methylpropyl)-3-oxopiperazin-1-yl]butanoic acid
CID 122099739

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2-methylpropyl)piperazin-2-one?
The IUPAC name of 1-ethyl-4-(2-methylpropyl)piperazin-2-one (CID 117013553) is 1-ethyl-4-(2-methylpropyl)piperazin-2-one.
What is the SMILES notation for 1-ethyl-4-(2-methylpropyl)piperazin-2-one?
The canonical SMILES for 1-ethyl-4-(2-methylpropyl)piperazin-2-one is CCN1CCN(CC(C)C)CC1=O.
What is the InChIKey of 1-ethyl-4-(2-methylpropyl)piperazin-2-one?
The InChIKey is DNKGTOMOEXWFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-4-12-6-5-11(7-9(2)3)8-10(12)13/h9H,4-8H2,1-3H3.
What are the key properties of 1-ethyl-4-(2-methylpropyl)piperazin-2-one?
1-ethyl-4-(2-methylpropyl)piperazin-2-one has a molecular weight of 184.28 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2-methylpropyl)piperazin-2-one is sourced from PubChem (CID 117013553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).