3-(1,3-dimethylpiperidin-4-yl)-5-(2-methylpropyl)imidazolidin-4-one

C14H27N3O — CID 114507163

IUPAC3-(1,3-dimethylpiperidin-4-yl)-5-(2-methylpropyl)imidazolidin-4-one
SMILESCC(C)CC1NCN(C2CCN(C)CC2C)C1=O
InChIInChI=1S/C14H27N3O/c1-10(2)7-12-14(18)17(9-15-12)13-5-6-16(4)8-11(13)3/h10-13,15H,5-9H2,1-4H3
InChIKeyOBYVLKHSWGBCEP-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.13
Rot. Bonds3

About 3-(1,3-dimethylpiperidin-4-yl)-5-(2-methylpropyl)imidazolidin-4-one

3-(1,3-dimethylpiperidin-4-yl)-5-(2-methylpropyl)imidazolidin-4-one (PubChem CID 114507163) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-(1,3-dimethylpiperidin-4-yl)-5-(2-methylpropyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-(1,3-dimethylpiperidin-4-yl)-5-(2-methylpropyl)imidazolidin-4-one
PubChem CID114507163
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name3-(1,3-dimethylpiperidin-4-yl)-5-(2-methylpropyl)imidazolidin-4-one
SMILESCC(C)CC1NCN(C2CCN(C)CC2C)C1=O
InChIInChI=1S/C14H27N3O/c1-10(2)7-12-14(18)17(9-15-12)13-5-6-16(4)8-11(13)3/h10-13,15H,5-9H2,1-4H3
InChIKeyOBYVLKHSWGBCEP-UHFFFAOYSA-N
XLogP1.13
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-ethyl-2-methylcyclopentyl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83258722
3-(3,4-dimethylcyclohexyl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83262674
3-(3-methylbutyl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83238290
1-(1,3-dimethylpiperidin-4-yl)-3-(methylamino)pyrrolidin-2-one
CID 114504246
3-(1-cyclopropylpropan-2-yl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83257317
5-(2-methylpropyl)-3-(3,3,5,5-tetramethylcyclohexyl)imidazolidin-4-one
CID 103968852
1-(1,3-dimethylpiperidin-4-yl)-3-(2-methylpropyl)-1,4-diazepane
CID 114506173
1-(1,3-dimethylpiperidin-4-yl)pyrrolidine-2,4-dione
CID 114504190
1-(1,3-dimethylpiperidin-4-yl)-3-(ethylamino)piperidin-2-one
CID 114506080
3-(2-methylcycloheptyl)-5-propylimidazolidin-4-one
CID 83258446
5-(2-methylpropyl)-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one
CID 83253267
1-(1,3-dimethylpiperidin-4-yl)-3-ethyl-3-methylpiperazine-2,5-dione
CID 114506205

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethylpiperidin-4-yl)-5-(2-methylpropyl)imidazolidin-4-one?
The IUPAC name of 3-(1,3-dimethylpiperidin-4-yl)-5-(2-methylpropyl)imidazolidin-4-one (CID 114507163) is 3-(1,3-dimethylpiperidin-4-yl)-5-(2-methylpropyl)imidazolidin-4-one.
What is the SMILES notation for 3-(1,3-dimethylpiperidin-4-yl)-5-(2-methylpropyl)imidazolidin-4-one?
The canonical SMILES for 3-(1,3-dimethylpiperidin-4-yl)-5-(2-methylpropyl)imidazolidin-4-one is CC(C)CC1NCN(C2CCN(C)CC2C)C1=O.
What is the InChIKey of 3-(1,3-dimethylpiperidin-4-yl)-5-(2-methylpropyl)imidazolidin-4-one?
The InChIKey is OBYVLKHSWGBCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-10(2)7-12-14(18)17(9-15-12)13-5-6-16(4)8-11(13)3/h10-13,15H,5-9H2,1-4H3.
What are the key properties of 3-(1,3-dimethylpiperidin-4-yl)-5-(2-methylpropyl)imidazolidin-4-one?
3-(1,3-dimethylpiperidin-4-yl)-5-(2-methylpropyl)imidazolidin-4-one has a molecular weight of 253.39 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethylpiperidin-4-yl)-5-(2-methylpropyl)imidazolidin-4-one is sourced from PubChem (CID 114507163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).