3-[(1-methylpiperidin-3-yl)methyl]-2-propan-2-yl-5-propylimidazolidin-4-one

C16H31N3O — CID 83248207

IUPAC3-[(1-methylpiperidin-3-yl)methyl]-2-propan-2-yl-5-propylimidazolidin-4-one
SMILESCCCC1NC(C(C)C)N(CC2CCCN(C)C2)C1=O
InChIInChI=1S/C16H31N3O/c1-5-7-14-16(20)19(15(17-14)12(2)3)11-13-8-6-9-18(4)10-13/h12-15,17H,5-11H2,1-4H3
InChIKeyYGLXXUHZVHWAIT-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.91
Rot. Bonds5

About 3-[(1-methylpiperidin-3-yl)methyl]-2-propan-2-yl-5-propylimidazolidin-4-one

3-[(1-methylpiperidin-3-yl)methyl]-2-propan-2-yl-5-propylimidazolidin-4-one (PubChem CID 83248207) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 3-[(1-methylpiperidin-3-yl)methyl]-2-propan-2-yl-5-propylimidazolidin-4-one.

Molecular Properties

Compound Name3-[(1-methylpiperidin-3-yl)methyl]-2-propan-2-yl-5-propylimidazolidin-4-one
PubChem CID83248207
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name3-[(1-methylpiperidin-3-yl)methyl]-2-propan-2-yl-5-propylimidazolidin-4-one
SMILESCCCC1NC(C(C)C)N(CC2CCCN(C)C2)C1=O
InChIInChI=1S/C16H31N3O/c1-5-7-14-16(20)19(15(17-14)12(2)3)11-13-8-6-9-18(4)10-13/h12-15,17H,5-11H2,1-4H3
InChIKeyYGLXXUHZVHWAIT-UHFFFAOYSA-N
XLogP1.91
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclobutylmethyl)-2-propan-2-yl-5-propylimidazolidin-4-one
CID 83243576
5-ethyl-3-[(1-methylpyrrolidin-3-yl)methyl]-2-propan-2-ylimidazolidin-4-one
CID 83255713
3-[(1-ethylpiperidin-4-yl)methyl]-2-propan-2-yl-5-propylimidazolidin-4-one
CID 83252942
5-butyl-3-(cyclobutylmethyl)-2-propan-2-ylimidazolidin-4-one
CID 83244060
3-(3-methylbutyl)-2-propan-2-yl-5-propylimidazolidin-4-one
CID 83238566
2-propan-2-yl-5-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one
CID 83270758
3,6-diethyl-1-[(1-methylpiperidin-3-yl)methyl]piperazine-2,5-dione
CID 64967485
5-butyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-propan-2-ylimidazolidin-4-one
CID 83244959
3-methyl-2-propan-2-yl-5-propylimidazolidin-4-one
CID 83260226
3-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-yl-5-propylimidazolidin-4-one
CID 102915982
3-(2-methylsulfonylethyl)-2-propan-2-yl-5-propylimidazolidin-4-one
CID 83256782
5-ethyl-3-(1-methylpiperidin-3-yl)-2-propan-2-ylimidazolidin-4-one
CID 83256390

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpiperidin-3-yl)methyl]-2-propan-2-yl-5-propylimidazolidin-4-one?
The IUPAC name of 3-[(1-methylpiperidin-3-yl)methyl]-2-propan-2-yl-5-propylimidazolidin-4-one (CID 83248207) is 3-[(1-methylpiperidin-3-yl)methyl]-2-propan-2-yl-5-propylimidazolidin-4-one.
What is the SMILES notation for 3-[(1-methylpiperidin-3-yl)methyl]-2-propan-2-yl-5-propylimidazolidin-4-one?
The canonical SMILES for 3-[(1-methylpiperidin-3-yl)methyl]-2-propan-2-yl-5-propylimidazolidin-4-one is CCCC1NC(C(C)C)N(CC2CCCN(C)C2)C1=O.
What is the InChIKey of 3-[(1-methylpiperidin-3-yl)methyl]-2-propan-2-yl-5-propylimidazolidin-4-one?
The InChIKey is YGLXXUHZVHWAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-5-7-14-16(20)19(15(17-14)12(2)3)11-13-8-6-9-18(4)10-13/h12-15,17H,5-11H2,1-4H3.
What are the key properties of 3-[(1-methylpiperidin-3-yl)methyl]-2-propan-2-yl-5-propylimidazolidin-4-one?
3-[(1-methylpiperidin-3-yl)methyl]-2-propan-2-yl-5-propylimidazolidin-4-one has a molecular weight of 281.44 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpiperidin-3-yl)methyl]-2-propan-2-yl-5-propylimidazolidin-4-one is sourced from PubChem (CID 83248207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).