1-[2-(4-methylpiperazin-2-yl)ethyl]-4-propan-2-ylimidazolidin-2-one

C13H26N4O — CID 116980735

IUPAC1-[2-(4-methylpiperazin-2-yl)ethyl]-4-propan-2-ylimidazolidin-2-one
SMILESCC(C)C1CN(CCC2CN(C)CCN2)C(=O)N1
InChIInChI=1S/C13H26N4O/c1-10(2)12-9-17(13(18)15-12)6-4-11-8-16(3)7-5-14-11/h10-12,14H,4-9H2,1-3H3,(H,15,18)
InChIKeyBUFZUEHEOVKEOD-UHFFFAOYSA-N
MW254.38 g/mol
LogP0.33
Rot. Bonds4

About 1-[2-(4-methylpiperazin-2-yl)ethyl]-4-propan-2-ylimidazolidin-2-one

1-[2-(4-methylpiperazin-2-yl)ethyl]-4-propan-2-ylimidazolidin-2-one (PubChem CID 116980735) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-[2-(4-methylpiperazin-2-yl)ethyl]-4-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(4-methylpiperazin-2-yl)ethyl]-4-propan-2-ylimidazolidin-2-one
PubChem CID116980735
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name1-[2-(4-methylpiperazin-2-yl)ethyl]-4-propan-2-ylimidazolidin-2-one
SMILESCC(C)C1CN(CCC2CN(C)CCN2)C(=O)N1
InChIInChI=1S/C13H26N4O/c1-10(2)12-9-17(13(18)15-12)6-4-11-8-16(3)7-5-14-11/h10-12,14H,4-9H2,1-3H3,(H,15,18)
InChIKeyBUFZUEHEOVKEOD-UHFFFAOYSA-N
XLogP0.33
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-1-[2-(4-methylpiperazin-2-yl)ethyl]imidazolidin-2-one
CID 116980731
1-[2-(4-methylpiperazin-2-yl)ethyl]piperidin-2-one
CID 117029798
1-[2-(4-methylpiperazin-2-yl)ethyl]piperidine-2,6-dione
CID 117029785
3-(2-oxo-4-propan-2-ylimidazolidin-1-yl)propanenitrile
CID 116980234
1-(2-morpholin-2-ylethyl)-4-propan-2-ylimidazolidin-2-one
CID 116980660
2-[2-(4-methylpiperazin-2-yl)ethyl]-3H-isoindol-1-one
CID 117030142
methyl 3-(2-oxo-4-propan-2-ylimidazolidin-1-yl)propanoate
CID 116980354
3-(4-methylpiperazin-2-yl)propanoic acid
CID 54495672
3-(3,3-dimethylbutyl)-1-methylpiperazine
CID 116928268
1-(2-amino-2-methylpropyl)-4-propan-2-ylimidazolidin-2-one
CID 116978490
4-methyl-N-[2-(4-methylpiperazin-2-yl)ethyl]pentan-1-amine
CID 115239467
2-[2-(4-methylpiperazin-2-yl)ethyl]-1,3-dihydroisoindole
CID 117029756

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperazin-2-yl)ethyl]-4-propan-2-ylimidazolidin-2-one?
The IUPAC name of 1-[2-(4-methylpiperazin-2-yl)ethyl]-4-propan-2-ylimidazolidin-2-one (CID 116980735) is 1-[2-(4-methylpiperazin-2-yl)ethyl]-4-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for 1-[2-(4-methylpiperazin-2-yl)ethyl]-4-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 1-[2-(4-methylpiperazin-2-yl)ethyl]-4-propan-2-ylimidazolidin-2-one is CC(C)C1CN(CCC2CN(C)CCN2)C(=O)N1.
What is the InChIKey of 1-[2-(4-methylpiperazin-2-yl)ethyl]-4-propan-2-ylimidazolidin-2-one?
The InChIKey is BUFZUEHEOVKEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-10(2)12-9-17(13(18)15-12)6-4-11-8-16(3)7-5-14-11/h10-12,14H,4-9H2,1-3H3,(H,15,18).
What are the key properties of 1-[2-(4-methylpiperazin-2-yl)ethyl]-4-propan-2-ylimidazolidin-2-one?
1-[2-(4-methylpiperazin-2-yl)ethyl]-4-propan-2-ylimidazolidin-2-one has a molecular weight of 254.38 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpiperazin-2-yl)ethyl]-4-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 116980735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).