3-methyl-4-(1-methylpiperidin-3-yl)-1-propan-2-ylimidazolidin-2-one

C13H25N3O — CID 116983171

IUPAC3-methyl-4-(1-methylpiperidin-3-yl)-1-propan-2-ylimidazolidin-2-one
SMILESCC(C)N1CC(C2CCCN(C)C2)N(C)C1=O
InChIInChI=1S/C13H25N3O/c1-10(2)16-9-12(15(4)13(16)17)11-6-5-7-14(3)8-11/h10-12H,5-9H2,1-4H3
InChIKeyHSPXVAQJPQKVLD-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.47
Rot. Bonds2

About 3-methyl-4-(1-methylpiperidin-3-yl)-1-propan-2-ylimidazolidin-2-one

3-methyl-4-(1-methylpiperidin-3-yl)-1-propan-2-ylimidazolidin-2-one (PubChem CID 116983171) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-methyl-4-(1-methylpiperidin-3-yl)-1-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name3-methyl-4-(1-methylpiperidin-3-yl)-1-propan-2-ylimidazolidin-2-one
PubChem CID116983171
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name3-methyl-4-(1-methylpiperidin-3-yl)-1-propan-2-ylimidazolidin-2-one
SMILESCC(C)N1CC(C2CCCN(C)C2)N(C)C1=O
InChIInChI=1S/C13H25N3O/c1-10(2)16-9-12(15(4)13(16)17)11-6-5-7-14(3)8-11/h10-12H,5-9H2,1-4H3
InChIKeyHSPXVAQJPQKVLD-UHFFFAOYSA-N
XLogP1.47
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-methyl-4-(1-methylpyrrolidin-3-yl)-2-oxoimidazolidin-1-yl]propanoic acid
CID 116982127
1-(2-hydroxyethyl)-3-methyl-4-(1-methylpiperidin-3-yl)imidazolidin-2-one
CID 116981965
1-(1-amino-2-methylpropan-2-yl)-3-methyl-4-(1-methylpiperidin-3-yl)imidazolidin-2-one
CID 116981390
6-methyl-1-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine
CID 89346367
(1S)-3-methyl-3-azabicyclo[5.5.0]dodecane
CID 118321451
1-(3-aminopropyl)-3-methyl-4-(1-methylpyrrolidin-3-yl)imidazolidin-2-one
CID 116981471
(5aS,9aR)-1-methyl-7-propan-2-yl-3,4,5,5a,6,8,9,9a-octahydropyrido[4,3-b]azepin-2-one
CID 155982545
2-propan-2-yl-3,4,4a,5,6,7,8,9,10,10a-decahydrocycloocta[c]pyridin-1-one
CID 155351261
1-(3-amino-2-methylpropyl)-4-(1-methylpiperidin-3-yl)imidazolidin-2-one
CID 116978731
(4R)-4-methyl-1-propan-2-ylpiperidin-2-one
CID 146189897
(3S)-3-methyl-1-propan-2-ylpiperidin-2-one
CID 129101270
3-methyl-4-(1-methylpiperidin-4-yl)-2-oxoimidazolidine-1-carbonitrile
CID 116982424

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(1-methylpiperidin-3-yl)-1-propan-2-ylimidazolidin-2-one?
The IUPAC name of 3-methyl-4-(1-methylpiperidin-3-yl)-1-propan-2-ylimidazolidin-2-one (CID 116983171) is 3-methyl-4-(1-methylpiperidin-3-yl)-1-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for 3-methyl-4-(1-methylpiperidin-3-yl)-1-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 3-methyl-4-(1-methylpiperidin-3-yl)-1-propan-2-ylimidazolidin-2-one is CC(C)N1CC(C2CCCN(C)C2)N(C)C1=O.
What is the InChIKey of 3-methyl-4-(1-methylpiperidin-3-yl)-1-propan-2-ylimidazolidin-2-one?
The InChIKey is HSPXVAQJPQKVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-10(2)16-9-12(15(4)13(16)17)11-6-5-7-14(3)8-11/h10-12H,5-9H2,1-4H3.
What are the key properties of 3-methyl-4-(1-methylpiperidin-3-yl)-1-propan-2-ylimidazolidin-2-one?
3-methyl-4-(1-methylpiperidin-3-yl)-1-propan-2-ylimidazolidin-2-one has a molecular weight of 239.36 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(1-methylpiperidin-3-yl)-1-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 116983171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).