1-[(1-methylpiperazin-2-yl)methyl]-4-(2-methylpropyl)imidazolidin-2-one

C13H26N4O — CID 116980706

IUPAC1-[(1-methylpiperazin-2-yl)methyl]-4-(2-methylpropyl)imidazolidin-2-one
SMILESCC(C)CC1CN(CC2CNCCN2C)C(=O)N1
InChIInChI=1S/C13H26N4O/c1-10(2)6-11-8-17(13(18)15-11)9-12-7-14-4-5-16(12)3/h10-12,14H,4-9H2,1-3H3,(H,15,18)
InChIKeyPZZGJOVGURABGJ-UHFFFAOYSA-N
MW254.38 g/mol
LogP0.33
Rot. Bonds4

About 1-[(1-methylpiperazin-2-yl)methyl]-4-(2-methylpropyl)imidazolidin-2-one

1-[(1-methylpiperazin-2-yl)methyl]-4-(2-methylpropyl)imidazolidin-2-one (PubChem CID 116980706) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-[(1-methylpiperazin-2-yl)methyl]-4-(2-methylpropyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-[(1-methylpiperazin-2-yl)methyl]-4-(2-methylpropyl)imidazolidin-2-one
PubChem CID116980706
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name1-[(1-methylpiperazin-2-yl)methyl]-4-(2-methylpropyl)imidazolidin-2-one
SMILESCC(C)CC1CN(CC2CNCCN2C)C(=O)N1
InChIInChI=1S/C13H26N4O/c1-10(2)6-11-8-17(13(18)15-11)9-12-7-14-4-5-16(12)3/h10-12,14H,4-9H2,1-3H3,(H,15,18)
InChIKeyPZZGJOVGURABGJ-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

3-methyl-1-[(1-methylpiperazin-2-yl)methyl]-4-(2-methylpropyl)imidazolidin-2-one
CID 116982814
4-(2-methylpropyl)-1-(morpholin-2-ylmethyl)imidazolidin-2-one
CID 116980687
4-(2-methylpropyl)-1-(2-piperidin-4-ylethyl)imidazolidin-2-one
CID 116980638
1-[2-(methylamino)ethyl]-4-(2-methylpropyl)imidazolidin-2-one
CID 116978233
1-(1-methylpiperazin-2-yl)propan-2-amine
CID 116941733
1-[2-methyl-2-(methylamino)propyl]-4-(2-methylpropyl)imidazolidin-2-one
CID 116979929
1-methyl-2-prop-2-enylpiperazine
CID 22918318
3-methyl-1-(1-methylpiperazin-2-yl)butan-2-amine
CID 116941732
3-methyl-1-(1-methylpiperazin-2-yl)butan-2-one
CID 116920060
(2S)-2-(2-fluoroethyl)-1-methylpiperazine
CID 124660399
4-ethyl-3-methyl-1-[2-(1-methylpiperazin-2-yl)ethyl]imidazolidin-2-one
CID 116982826
N,3-dimethyl-N-[2-(1-methylpiperazin-2-yl)ethyl]butan-1-amine
CID 115239639

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpiperazin-2-yl)methyl]-4-(2-methylpropyl)imidazolidin-2-one?
The IUPAC name of 1-[(1-methylpiperazin-2-yl)methyl]-4-(2-methylpropyl)imidazolidin-2-one (CID 116980706) is 1-[(1-methylpiperazin-2-yl)methyl]-4-(2-methylpropyl)imidazolidin-2-one.
What is the SMILES notation for 1-[(1-methylpiperazin-2-yl)methyl]-4-(2-methylpropyl)imidazolidin-2-one?
The canonical SMILES for 1-[(1-methylpiperazin-2-yl)methyl]-4-(2-methylpropyl)imidazolidin-2-one is CC(C)CC1CN(CC2CNCCN2C)C(=O)N1.
What is the InChIKey of 1-[(1-methylpiperazin-2-yl)methyl]-4-(2-methylpropyl)imidazolidin-2-one?
The InChIKey is PZZGJOVGURABGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-10(2)6-11-8-17(13(18)15-11)9-12-7-14-4-5-16(12)3/h10-12,14H,4-9H2,1-3H3,(H,15,18).
What are the key properties of 1-[(1-methylpiperazin-2-yl)methyl]-4-(2-methylpropyl)imidazolidin-2-one?
1-[(1-methylpiperazin-2-yl)methyl]-4-(2-methylpropyl)imidazolidin-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-[(1-methylpiperazin-2-yl)methyl]-4-(2-methylpropyl)imidazolidin-2-one is sourced from PubChem (CID 116980706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).