1-(2-hydroxyethyl)-3-methyl-4-(1-methylpiperidin-3-yl)imidazolidin-2-one

C12H23N3O2 — CID 116981965

IUPAC1-(2-hydroxyethyl)-3-methyl-4-(1-methylpiperidin-3-yl)imidazolidin-2-one
SMILESCN1CCCC(C2CN(CCO)C(=O)N2C)C1
InChIInChI=1S/C12H23N3O2/c1-13-5-3-4-10(8-13)11-9-15(6-7-16)12(17)14(11)2/h10-11,16H,3-9H2,1-2H3
InChIKeyDFPPGFXCYWHUDZ-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.06
Rot. Bonds3

About 1-(2-hydroxyethyl)-3-methyl-4-(1-methylpiperidin-3-yl)imidazolidin-2-one

1-(2-hydroxyethyl)-3-methyl-4-(1-methylpiperidin-3-yl)imidazolidin-2-one (PubChem CID 116981965) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-methyl-4-(1-methylpiperidin-3-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-methyl-4-(1-methylpiperidin-3-yl)imidazolidin-2-one
PubChem CID116981965
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name1-(2-hydroxyethyl)-3-methyl-4-(1-methylpiperidin-3-yl)imidazolidin-2-one
SMILESCN1CCCC(C2CN(CCO)C(=O)N2C)C1
InChIInChI=1S/C12H23N3O2/c1-13-5-3-4-10(8-13)11-9-15(6-7-16)12(17)14(11)2/h10-11,16H,3-9H2,1-2H3
InChIKeyDFPPGFXCYWHUDZ-UHFFFAOYSA-N
XLogP0.06
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-aminopropyl)-3-methyl-4-(1-methylpyrrolidin-3-yl)imidazolidin-2-one
CID 116981471
3-methyl-4-(1-methylpiperidin-3-yl)-1-propan-2-ylimidazolidin-2-one
CID 116983171
1-(1-amino-2-methylpropan-2-yl)-3-methyl-4-(1-methylpiperidin-3-yl)imidazolidin-2-one
CID 116981390
3-methyl-4-(1-methylpiperidin-4-yl)-1-(2-sulfanylethyl)imidazolidin-2-one
CID 116982267
methyl 3-(4-cyclobutyl-3-methyl-2-oxoimidazolidin-1-yl)propanoate
CID 116982611
2-[3-methyl-4-(1-methylpyrrolidin-3-yl)-2-oxoimidazolidin-1-yl]propanoic acid
CID 116982127
4-cyclopentyl-3-methyl-1-(piperidin-2-ylmethyl)imidazolidin-2-one
CID 116981839
(1S)-3-methyl-3-azabicyclo[5.5.0]dodecane
CID 118321451
3-(2-hydroxyethyl)-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d]pyrimidin-2-one
CID 105441140
1-(3-amino-2-methylpropyl)-4-(1-methylpiperidin-3-yl)imidazolidin-2-one
CID 116978731
4-cyclopentyl-3-methyl-1-(morpholin-3-ylmethyl)imidazolidin-2-one
CID 116982800
4-cyclobutyl-3-methyl-1-(morpholin-3-ylmethyl)imidazolidin-2-one
CID 116982801

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-methyl-4-(1-methylpiperidin-3-yl)imidazolidin-2-one?
The IUPAC name of 1-(2-hydroxyethyl)-3-methyl-4-(1-methylpiperidin-3-yl)imidazolidin-2-one (CID 116981965) is 1-(2-hydroxyethyl)-3-methyl-4-(1-methylpiperidin-3-yl)imidazolidin-2-one.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-methyl-4-(1-methylpiperidin-3-yl)imidazolidin-2-one?
The canonical SMILES for 1-(2-hydroxyethyl)-3-methyl-4-(1-methylpiperidin-3-yl)imidazolidin-2-one is CN1CCCC(C2CN(CCO)C(=O)N2C)C1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-methyl-4-(1-methylpiperidin-3-yl)imidazolidin-2-one?
The InChIKey is DFPPGFXCYWHUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-13-5-3-4-10(8-13)11-9-15(6-7-16)12(17)14(11)2/h10-11,16H,3-9H2,1-2H3.
What are the key properties of 1-(2-hydroxyethyl)-3-methyl-4-(1-methylpiperidin-3-yl)imidazolidin-2-one?
1-(2-hydroxyethyl)-3-methyl-4-(1-methylpiperidin-3-yl)imidazolidin-2-one has a molecular weight of 241.33 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-methyl-4-(1-methylpiperidin-3-yl)imidazolidin-2-one is sourced from PubChem (CID 116981965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).