1-ethyl-3-[1-(2-ethylbutanoyl)piperidin-4-yl]imidazolidin-2-one

C16H29N3O2 — CID 46335572

IUPAC1-ethyl-3-[1-(2-ethylbutanoyl)piperidin-4-yl]imidazolidin-2-one
SMILESCCC(CC)C(=O)N1CCC(N2CCN(CC)C2=O)CC1
InChIInChI=1S/C16H29N3O2/c1-4-13(5-2)15(20)18-9-7-14(8-10-18)19-12-11-17(6-3)16(19)21/h13-14H,4-12H2,1-3H3
InChIKeyPVDALBXNFAVTNX-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.17
Rot. Bonds5

About 1-ethyl-3-[1-(2-ethylbutanoyl)piperidin-4-yl]imidazolidin-2-one

1-ethyl-3-[1-(2-ethylbutanoyl)piperidin-4-yl]imidazolidin-2-one (PubChem CID 46335572) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-ethyl-3-[1-(2-ethylbutanoyl)piperidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[1-(2-ethylbutanoyl)piperidin-4-yl]imidazolidin-2-one
PubChem CID46335572
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name1-ethyl-3-[1-(2-ethylbutanoyl)piperidin-4-yl]imidazolidin-2-one
SMILESCCC(CC)C(=O)N1CCC(N2CCN(CC)C2=O)CC1
InChIInChI=1S/C16H29N3O2/c1-4-13(5-2)15(20)18-9-7-14(8-10-18)19-12-11-17(6-3)16(19)21/h13-14H,4-12H2,1-3H3
InChIKeyPVDALBXNFAVTNX-UHFFFAOYSA-N
XLogP2.17
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[1-(2-ethylbutanoyl)piperidin-4-yl]imidazolidin-2-one?
The IUPAC name of 1-ethyl-3-[1-(2-ethylbutanoyl)piperidin-4-yl]imidazolidin-2-one (CID 46335572) is 1-ethyl-3-[1-(2-ethylbutanoyl)piperidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-ethyl-3-[1-(2-ethylbutanoyl)piperidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-ethyl-3-[1-(2-ethylbutanoyl)piperidin-4-yl]imidazolidin-2-one is CCC(CC)C(=O)N1CCC(N2CCN(CC)C2=O)CC1.
What is the InChIKey of 1-ethyl-3-[1-(2-ethylbutanoyl)piperidin-4-yl]imidazolidin-2-one?
The InChIKey is PVDALBXNFAVTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-4-13(5-2)15(20)18-9-7-14(8-10-18)19-12-11-17(6-3)16(19)21/h13-14H,4-12H2,1-3H3.
What are the key properties of 1-ethyl-3-[1-(2-ethylbutanoyl)piperidin-4-yl]imidazolidin-2-one?
1-ethyl-3-[1-(2-ethylbutanoyl)piperidin-4-yl]imidazolidin-2-one has a molecular weight of 295.43 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[1-(2-ethylbutanoyl)piperidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 46335572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).