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

C13H25N3O — CID 83247955

IUPAC3-[(1-methylpiperidin-2-yl)methyl]-2-propylimidazolidin-4-one
SMILESCCCC1NCC(=O)N1CC1CCCCN1C
InChIInChI=1S/C13H25N3O/c1-3-6-12-14-9-13(17)16(12)10-11-7-4-5-8-15(11)2/h11-12,14H,3-10H2,1-2H3
InChIKeyCZVYMJMFHUMZKR-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.03
Rot. Bonds4

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

3-[(1-methylpiperidin-2-yl)methyl]-2-propylimidazolidin-4-one (PubChem CID 83247955) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-[(1-methylpiperidin-2-yl)methyl]-2-propylimidazolidin-4-one.

Molecular Properties

Compound Name3-[(1-methylpiperidin-2-yl)methyl]-2-propylimidazolidin-4-one
PubChem CID83247955
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name3-[(1-methylpiperidin-2-yl)methyl]-2-propylimidazolidin-4-one
SMILESCCCC1NCC(=O)N1CC1CCCCN1C
InChIInChI=1S/C13H25N3O/c1-3-6-12-14-9-13(17)16(12)10-11-7-4-5-8-15(11)2/h11-12,14H,3-10H2,1-2H3
InChIKeyCZVYMJMFHUMZKR-UHFFFAOYSA-N
XLogP1.03
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-3-[(1-methylpiperidin-2-yl)methyl]-2-propylimidazolidin-4-one
CID 83247451
2-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one
CID 83271159
5-ethyl-3-[(1-methylpyrrolidin-2-yl)methyl]-2-propylimidazolidin-4-one
CID 114137900
3-(2-cyclohexyloxyethyl)-2-propylimidazolidin-4-one
CID 83264060
3-[(1-methylpiperidin-2-yl)methyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83245106
4-[(1-methylpiperidin-2-yl)methyl]-5-sulfanylidene-1,2,4-triazolidin-3-one
CID 62898027
3-(2-methylsulfanylethyl)-2-propylimidazolidin-4-one
CID 83257532
3-(2-methylsulfonylethyl)-2-propylimidazolidin-4-one
CID 83255892
2-cyclopentyl-5-ethyl-3-[(1-methylpiperidin-2-yl)methyl]imidazolidin-4-one
CID 83246646
3-methyl-2-propylimidazolidin-4-one
CID 83259789
3-(2-methylpropyl)-2-propylimidazolidin-4-one
CID 83242214
3-[2-(2-methoxyethoxy)ethyl]-2-propylimidazolidin-4-one
CID 83255942

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpiperidin-2-yl)methyl]-2-propylimidazolidin-4-one?
The IUPAC name of 3-[(1-methylpiperidin-2-yl)methyl]-2-propylimidazolidin-4-one (CID 83247955) is 3-[(1-methylpiperidin-2-yl)methyl]-2-propylimidazolidin-4-one.
What is the SMILES notation for 3-[(1-methylpiperidin-2-yl)methyl]-2-propylimidazolidin-4-one?
The canonical SMILES for 3-[(1-methylpiperidin-2-yl)methyl]-2-propylimidazolidin-4-one is CCCC1NCC(=O)N1CC1CCCCN1C.
What is the InChIKey of 3-[(1-methylpiperidin-2-yl)methyl]-2-propylimidazolidin-4-one?
The InChIKey is CZVYMJMFHUMZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-3-6-12-14-9-13(17)16(12)10-11-7-4-5-8-15(11)2/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 3-[(1-methylpiperidin-2-yl)methyl]-2-propylimidazolidin-4-one?
3-[(1-methylpiperidin-2-yl)methyl]-2-propylimidazolidin-4-one has a molecular weight of 239.36 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpiperidin-2-yl)methyl]-2-propylimidazolidin-4-one is sourced from PubChem (CID 83247955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).