1-(1-butanoylpiperidin-4-yl)-3-ethylimidazolidin-2-one

C14H25N3O2 — CID 46335579

IUPAC1-(1-butanoylpiperidin-4-yl)-3-ethylimidazolidin-2-one
SMILESCCCC(=O)N1CCC(N2CCN(CC)C2=O)CC1
InChIInChI=1S/C14H25N3O2/c1-3-5-13(18)16-8-6-12(7-9-16)17-11-10-15(4-2)14(17)19/h12H,3-11H2,1-2H3
InChIKeyBEMGVPHMFQTPHJ-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.53
Rot. Bonds4

About 1-(1-butanoylpiperidin-4-yl)-3-ethylimidazolidin-2-one

1-(1-butanoylpiperidin-4-yl)-3-ethylimidazolidin-2-one (PubChem CID 46335579) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(1-butanoylpiperidin-4-yl)-3-ethylimidazolidin-2-one.

Molecular Properties

Compound Name1-(1-butanoylpiperidin-4-yl)-3-ethylimidazolidin-2-one
PubChem CID46335579
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-(1-butanoylpiperidin-4-yl)-3-ethylimidazolidin-2-one
SMILESCCCC(=O)N1CCC(N2CCN(CC)C2=O)CC1
InChIInChI=1S/C14H25N3O2/c1-3-5-13(18)16-8-6-12(7-9-16)17-11-10-15(4-2)14(17)19/h12H,3-11H2,1-2H3
InChIKeyBEMGVPHMFQTPHJ-UHFFFAOYSA-N
XLogP1.53
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-butanoylpiperidin-4-yl)-3-ethylimidazolidin-2-one?
The IUPAC name of 1-(1-butanoylpiperidin-4-yl)-3-ethylimidazolidin-2-one (CID 46335579) is 1-(1-butanoylpiperidin-4-yl)-3-ethylimidazolidin-2-one.
What is the SMILES notation for 1-(1-butanoylpiperidin-4-yl)-3-ethylimidazolidin-2-one?
The canonical SMILES for 1-(1-butanoylpiperidin-4-yl)-3-ethylimidazolidin-2-one is CCCC(=O)N1CCC(N2CCN(CC)C2=O)CC1.
What is the InChIKey of 1-(1-butanoylpiperidin-4-yl)-3-ethylimidazolidin-2-one?
The InChIKey is BEMGVPHMFQTPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-3-5-13(18)16-8-6-12(7-9-16)17-11-10-15(4-2)14(17)19/h12H,3-11H2,1-2H3.
What are the key properties of 1-(1-butanoylpiperidin-4-yl)-3-ethylimidazolidin-2-one?
1-(1-butanoylpiperidin-4-yl)-3-ethylimidazolidin-2-one has a molecular weight of 267.37 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butanoylpiperidin-4-yl)-3-ethylimidazolidin-2-one is sourced from PubChem (CID 46335579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).