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

C17H31N3O2 — CID 46335588

IUPAC1-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-propylimidazolidin-2-one
SMILESCCCN1CCN(C2CCN(C(=O)C(CC)CC)CC2)C1=O
InChIInChI=1S/C17H31N3O2/c1-4-9-19-12-13-20(17(19)22)15-7-10-18(11-8-15)16(21)14(5-2)6-3/h14-15H,4-13H2,1-3H3
InChIKeyDPNFEGNVFTYELD-UHFFFAOYSA-N
MW309.45 g/mol
LogP2.56
Rot. Bonds6

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

1-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-propylimidazolidin-2-one (PubChem CID 46335588) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is 1-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-propylimidazolidin-2-one.

Molecular Properties

Compound Name1-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-propylimidazolidin-2-one
PubChem CID46335588
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name1-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-propylimidazolidin-2-one
SMILESCCCN1CCN(C2CCN(C(=O)C(CC)CC)CC2)C1=O
InChIInChI=1S/C17H31N3O2/c1-4-9-19-12-13-20(17(19)22)15-7-10-18(11-8-15)16(21)14(5-2)6-3/h14-15H,4-13H2,1-3H3
InChIKeyDPNFEGNVFTYELD-UHFFFAOYSA-N
XLogP2.56
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-propylimidazolidin-2-one?
The IUPAC name of 1-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-propylimidazolidin-2-one (CID 46335588) is 1-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-propylimidazolidin-2-one.
What is the SMILES notation for 1-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-propylimidazolidin-2-one?
The canonical SMILES for 1-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-propylimidazolidin-2-one is CCCN1CCN(C2CCN(C(=O)C(CC)CC)CC2)C1=O.
What is the InChIKey of 1-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-propylimidazolidin-2-one?
The InChIKey is DPNFEGNVFTYELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-4-9-19-12-13-20(17(19)22)15-7-10-18(11-8-15)16(21)14(5-2)6-3/h14-15H,4-13H2,1-3H3.
What are the key properties of 1-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-propylimidazolidin-2-one?
1-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-propylimidazolidin-2-one has a molecular weight of 309.45 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-propylimidazolidin-2-one is sourced from PubChem (CID 46335588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).