5-ethyl-3-[3-(2-methylpiperidin-1-yl)propyl]imidazolidin-4-one

C14H27N3O — CID 83239103

IUPAC5-ethyl-3-[3-(2-methylpiperidin-1-yl)propyl]imidazolidin-4-one
SMILESCCC1NCN(CCCN2CCCCC2C)C1=O
InChIInChI=1S/C14H27N3O/c1-3-13-14(18)17(11-15-13)10-6-9-16-8-5-4-7-12(16)2/h12-13,15H,3-11H2,1-2H3
InChIKeyAGTWJDIDFBGQDJ-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.42
Rot. Bonds5

About 5-ethyl-3-[3-(2-methylpiperidin-1-yl)propyl]imidazolidin-4-one

5-ethyl-3-[3-(2-methylpiperidin-1-yl)propyl]imidazolidin-4-one (PubChem CID 83239103) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 5-ethyl-3-[3-(2-methylpiperidin-1-yl)propyl]imidazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-3-[3-(2-methylpiperidin-1-yl)propyl]imidazolidin-4-one
PubChem CID83239103
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name5-ethyl-3-[3-(2-methylpiperidin-1-yl)propyl]imidazolidin-4-one
SMILESCCC1NCN(CCCN2CCCCC2C)C1=O
InChIInChI=1S/C14H27N3O/c1-3-13-14(18)17(11-15-13)10-6-9-16-8-5-4-7-12(16)2/h12-13,15H,3-11H2,1-2H3
InChIKeyAGTWJDIDFBGQDJ-UHFFFAOYSA-N
XLogP1.42
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(dimethylamino)ethyl]-5-ethylimidazolidin-4-one
CID 83251000
3-(cyclopropylmethyl)-5-ethylimidazolidin-4-one
CID 83250904
2-methyl-1-pentylazepane
CID 134994557
1-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidin-2-imine
CID 43121926
1-methyl-4-[3-(2-methylpiperidin-1-yl)propyl]piperazine
CID 174676433
5-butyl-3-decylimidazolidin-4-one
CID 83270318
4-ethyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexan-1-amine
CID 43079554
1-(3-bromopropyl)-2-methylpiperidine;hydrobromide
CID 71320292
N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexanamine
CID 43178283
3-[3-(2-methylpiperidin-1-yl)propyl]phenol
CID 82187955
1-butyl-2-methylpyrrolidine;hydrobromide
CID 174642317
2-[1-[2-(2-methylpiperidin-1-yl)ethyl]-3-[3-(2-methylpyrrolidin-1-yl)propyl]imidazolidin-2-ylidene]propanedinitrile
CID 87662467

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[3-(2-methylpiperidin-1-yl)propyl]imidazolidin-4-one?
The IUPAC name of 5-ethyl-3-[3-(2-methylpiperidin-1-yl)propyl]imidazolidin-4-one (CID 83239103) is 5-ethyl-3-[3-(2-methylpiperidin-1-yl)propyl]imidazolidin-4-one.
What is the SMILES notation for 5-ethyl-3-[3-(2-methylpiperidin-1-yl)propyl]imidazolidin-4-one?
The canonical SMILES for 5-ethyl-3-[3-(2-methylpiperidin-1-yl)propyl]imidazolidin-4-one is CCC1NCN(CCCN2CCCCC2C)C1=O.
What is the InChIKey of 5-ethyl-3-[3-(2-methylpiperidin-1-yl)propyl]imidazolidin-4-one?
The InChIKey is AGTWJDIDFBGQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-3-13-14(18)17(11-15-13)10-6-9-16-8-5-4-7-12(16)2/h12-13,15H,3-11H2,1-2H3.
What are the key properties of 5-ethyl-3-[3-(2-methylpiperidin-1-yl)propyl]imidazolidin-4-one?
5-ethyl-3-[3-(2-methylpiperidin-1-yl)propyl]imidazolidin-4-one has a molecular weight of 253.39 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[3-(2-methylpiperidin-1-yl)propyl]imidazolidin-4-one is sourced from PubChem (CID 83239103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).