1-(1-ethylpiperidin-4-yl)-4-methylpiperazin-2-one

C12H23N3O — CID 66926389

IUPAC1-(1-ethylpiperidin-4-yl)-4-methylpiperazin-2-one
SMILESCCN1CCC(N2CCN(C)CC2=O)CC1
InChIInChI=1S/C12H23N3O/c1-3-14-6-4-11(5-7-14)15-9-8-13(2)10-12(15)16/h11H,3-10H2,1-2H3
InChIKeyUKNOZHIPUUUZED-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.24
Rot. Bonds2

About 1-(1-ethylpiperidin-4-yl)-4-methylpiperazin-2-one

1-(1-ethylpiperidin-4-yl)-4-methylpiperazin-2-one (PubChem CID 66926389) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-4-yl)-4-methylpiperazin-2-one.

Molecular Properties

Compound Name1-(1-ethylpiperidin-4-yl)-4-methylpiperazin-2-one
PubChem CID66926389
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-(1-ethylpiperidin-4-yl)-4-methylpiperazin-2-one
SMILESCCN1CCC(N2CCN(C)CC2=O)CC1
InChIInChI=1S/C12H23N3O/c1-3-14-6-4-11(5-7-14)15-9-8-13(2)10-12(15)16/h11H,3-10H2,1-2H3
InChIKeyUKNOZHIPUUUZED-UHFFFAOYSA-N
XLogP0.24
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-4-yl)-4-methylpiperazin-2-one?
The IUPAC name of 1-(1-ethylpiperidin-4-yl)-4-methylpiperazin-2-one (CID 66926389) is 1-(1-ethylpiperidin-4-yl)-4-methylpiperazin-2-one.
What is the SMILES notation for 1-(1-ethylpiperidin-4-yl)-4-methylpiperazin-2-one?
The canonical SMILES for 1-(1-ethylpiperidin-4-yl)-4-methylpiperazin-2-one is CCN1CCC(N2CCN(C)CC2=O)CC1.
What is the InChIKey of 1-(1-ethylpiperidin-4-yl)-4-methylpiperazin-2-one?
The InChIKey is UKNOZHIPUUUZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-3-14-6-4-11(5-7-14)15-9-8-13(2)10-12(15)16/h11H,3-10H2,1-2H3.
What are the key properties of 1-(1-ethylpiperidin-4-yl)-4-methylpiperazin-2-one?
1-(1-ethylpiperidin-4-yl)-4-methylpiperazin-2-one has a molecular weight of 225.34 g/mol, XLogP of 0.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-4-yl)-4-methylpiperazin-2-one is sourced from PubChem (CID 66926389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).