5-butan-2-yl-3-[(1-ethylpiperidin-4-yl)methyl]imidazolidin-4-one

C15H29N3O — CID 83248870

IUPAC5-butan-2-yl-3-[(1-ethylpiperidin-4-yl)methyl]imidazolidin-4-one
SMILESCCC(C)C1NCN(CC2CCN(CC)CC2)C1=O
InChIInChI=1S/C15H29N3O/c1-4-12(3)14-15(19)18(11-16-14)10-13-6-8-17(5-2)9-7-13/h12-14,16H,4-11H2,1-3H3
InChIKeyHYXMDWICJPAKNV-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.52
Rot. Bonds5

About 5-butan-2-yl-3-[(1-ethylpiperidin-4-yl)methyl]imidazolidin-4-one

5-butan-2-yl-3-[(1-ethylpiperidin-4-yl)methyl]imidazolidin-4-one (PubChem CID 83248870) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 5-butan-2-yl-3-[(1-ethylpiperidin-4-yl)methyl]imidazolidin-4-one.

Molecular Properties

Compound Name5-butan-2-yl-3-[(1-ethylpiperidin-4-yl)methyl]imidazolidin-4-one
PubChem CID83248870
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name5-butan-2-yl-3-[(1-ethylpiperidin-4-yl)methyl]imidazolidin-4-one
SMILESCCC(C)C1NCN(CC2CCN(CC)CC2)C1=O
InChIInChI=1S/C15H29N3O/c1-4-12(3)14-15(19)18(11-16-14)10-13-6-8-17(5-2)9-7-13/h12-14,16H,4-11H2,1-3H3
InChIKeyHYXMDWICJPAKNV-UHFFFAOYSA-N
XLogP1.52
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-sec-Butyl-pyrrolopiperazine-1,4-dione
CID 6428988
Cyclo(Ile-Pro)
CID 13654640
1-[2-(Cyclopentylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 2426524
Cyclo(L-Pro-L-Ile)
CID 9990707
5-Sec-butyl-3-cyclohexyl-2-thioxoimidazolidin-4-one
CID 3144202
1-N-cyclohexyl-2-N-(3-methylbutyl)pyrrolidine-1,2-dicarboxamide
CID 3219609
3-[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 4682145
(2S,3S)-1-((1S,5R)-2-aza-bicyclo[3.1.0]hexan-2-yl)-2-amino-3-methylpentan-1-one
CID 44433952
(2S,3R)-1-((1S,5R)-2-aza-bicyclo[3.1.0]hexan-2-yl)-2-amino-3-methylpentan-1-one
CID 44433953
N-cyclohexyl-N-methyl-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4520677
6,8,9-Trimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 607189
Cyclo(D)-Pro-(D)-Ile
CID 44566897

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-3-[(1-ethylpiperidin-4-yl)methyl]imidazolidin-4-one?
The IUPAC name of 5-butan-2-yl-3-[(1-ethylpiperidin-4-yl)methyl]imidazolidin-4-one (CID 83248870) is 5-butan-2-yl-3-[(1-ethylpiperidin-4-yl)methyl]imidazolidin-4-one.
What is the SMILES notation for 5-butan-2-yl-3-[(1-ethylpiperidin-4-yl)methyl]imidazolidin-4-one?
The canonical SMILES for 5-butan-2-yl-3-[(1-ethylpiperidin-4-yl)methyl]imidazolidin-4-one is CCC(C)C1NCN(CC2CCN(CC)CC2)C1=O.
What is the InChIKey of 5-butan-2-yl-3-[(1-ethylpiperidin-4-yl)methyl]imidazolidin-4-one?
The InChIKey is HYXMDWICJPAKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-4-12(3)14-15(19)18(11-16-14)10-13-6-8-17(5-2)9-7-13/h12-14,16H,4-11H2,1-3H3.
What are the key properties of 5-butan-2-yl-3-[(1-ethylpiperidin-4-yl)methyl]imidazolidin-4-one?
5-butan-2-yl-3-[(1-ethylpiperidin-4-yl)methyl]imidazolidin-4-one has a molecular weight of 267.42 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-3-[(1-ethylpiperidin-4-yl)methyl]imidazolidin-4-one is sourced from PubChem (CID 83248870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).