2-(3-methylphenyl)-3-(1-methylpiperidin-3-yl)imidazolidin-4-one

C16H23N3O — CID 83256473

IUPAC2-(3-methylphenyl)-3-(1-methylpiperidin-3-yl)imidazolidin-4-one
SMILESCc1cccc(C2NCC(=O)N2C2CCCN(C)C2)c1
InChIInChI=1S/C16H23N3O/c1-12-5-3-6-13(9-12)16-17-10-15(20)19(16)14-7-4-8-18(2)11-14/h3,5-6,9,14,16-17H,4,7-8,10-11H2,1-2H3
InChIKeyKPTKGKMYFZGRTB-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.52
Rot. Bonds2

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

2-(3-methylphenyl)-3-(1-methylpiperidin-3-yl)imidazolidin-4-one (PubChem CID 83256473) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(3-methylphenyl)-3-(1-methylpiperidin-3-yl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(3-methylphenyl)-3-(1-methylpiperidin-3-yl)imidazolidin-4-one
PubChem CID83256473
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-(3-methylphenyl)-3-(1-methylpiperidin-3-yl)imidazolidin-4-one
SMILESCc1cccc(C2NCC(=O)N2C2CCCN(C)C2)c1
InChIInChI=1S/C16H23N3O/c1-12-5-3-6-13(9-12)16-17-10-15(20)19(16)14-7-4-8-18(2)11-14/h3,5-6,9,14,16-17H,4,7-8,10-11H2,1-2H3
InChIKeyKPTKGKMYFZGRTB-UHFFFAOYSA-N
XLogP1.52
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclohexyl-2-(3-methylphenyl)imidazolidin-4-one
CID 83242271
3-(1,1-dioxothian-3-yl)-2-(3-methylphenyl)imidazolidin-4-one
CID 83263212
3-(1,1-dioxothiolan-3-yl)-2-(3-methylphenyl)imidazolidin-4-one
CID 115282314
2-(3-methylphenyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazolidin-4-one
CID 83246906
2-(4-methoxyphenyl)-3-(1-methylpiperidin-3-yl)imidazolidin-4-one
CID 83247319
3-(2-methylcyclohexyl)-2-(3-methylphenyl)imidazolidin-4-one
CID 83236888
3-cyclohexyl-2-(3-fluorophenyl)imidazolidin-4-one
CID 83243222
3-cyclopentyl-2-(3-methoxyphenyl)imidazolidin-4-one
CID 83242750
3-(2-cyclohexylethyl)-2-(3-methylphenyl)imidazolidin-4-one
CID 83246283
2-(4-methylphenyl)-3-(1-methylpiperidin-4-yl)imidazolidin-4-one
CID 83244495
2-(3-chlorophenyl)-3-cyclopropylimidazolidin-4-one
CID 115282204
2-(3-chlorophenyl)-3-(3-methylcyclohexyl)imidazolidin-4-one
CID 83243762

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-3-(1-methylpiperidin-3-yl)imidazolidin-4-one?
The IUPAC name of 2-(3-methylphenyl)-3-(1-methylpiperidin-3-yl)imidazolidin-4-one (CID 83256473) is 2-(3-methylphenyl)-3-(1-methylpiperidin-3-yl)imidazolidin-4-one.
What is the SMILES notation for 2-(3-methylphenyl)-3-(1-methylpiperidin-3-yl)imidazolidin-4-one?
The canonical SMILES for 2-(3-methylphenyl)-3-(1-methylpiperidin-3-yl)imidazolidin-4-one is Cc1cccc(C2NCC(=O)N2C2CCCN(C)C2)c1.
What is the InChIKey of 2-(3-methylphenyl)-3-(1-methylpiperidin-3-yl)imidazolidin-4-one?
The InChIKey is KPTKGKMYFZGRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12-5-3-6-13(9-12)16-17-10-15(20)19(16)14-7-4-8-18(2)11-14/h3,5-6,9,14,16-17H,4,7-8,10-11H2,1-2H3.
What are the key properties of 2-(3-methylphenyl)-3-(1-methylpiperidin-3-yl)imidazolidin-4-one?
2-(3-methylphenyl)-3-(1-methylpiperidin-3-yl)imidazolidin-4-one has a molecular weight of 273.38 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-3-(1-methylpiperidin-3-yl)imidazolidin-4-one is sourced from PubChem (CID 83256473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).