1-ethyl-3-methyl-4-(piperidin-4-ylmethyl)piperazin-2-one

C13H25N3O — CID 120848952

IUPAC1-ethyl-3-methyl-4-(piperidin-4-ylmethyl)piperazin-2-one
SMILESCCN1CCN(CC2CCNCC2)C(C)C1=O
InChIInChI=1S/C13H25N3O/c1-3-15-8-9-16(11(2)13(15)17)10-12-4-6-14-7-5-12/h11-12,14H,3-10H2,1-2H3
InChIKeyGKFFENZYRISLAZ-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.54
Rot. Bonds3

About 1-ethyl-3-methyl-4-(piperidin-4-ylmethyl)piperazin-2-one

1-ethyl-3-methyl-4-(piperidin-4-ylmethyl)piperazin-2-one (PubChem CID 120848952) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-ethyl-3-methyl-4-(piperidin-4-ylmethyl)piperazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-methyl-4-(piperidin-4-ylmethyl)piperazin-2-one
PubChem CID120848952
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-ethyl-3-methyl-4-(piperidin-4-ylmethyl)piperazin-2-one
SMILESCCN1CCN(CC2CCNCC2)C(C)C1=O
InChIInChI=1S/C13H25N3O/c1-3-15-8-9-16(11(2)13(15)17)10-12-4-6-14-7-5-12/h11-12,14H,3-10H2,1-2H3
InChIKeyGKFFENZYRISLAZ-UHFFFAOYSA-N
XLogP0.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3-piperidin-4-ylimidazolidin-2-one;hydrochloride
CID 54593098
1,2,3-trimethyl-4-(piperidin-4-ylmethyl)piperazine
CID 120854846
2-methyl-1-(piperidin-4-ylmethyl)piperazine;propane
CID 156712071
1-ethyl-3-(piperidin-4-ylmethyl)imidazol-2-one
CID 80580950
4-[(2-methylpyrrolidin-1-yl)methyl]piperidine;dihydrochloride
CID 57445880
1-(2-methoxyethyl)-4-(piperidin-4-ylmethyl)piperazine-2,3-dione
CID 83290625
2,4-dimethyl-1-(piperidin-4-ylmethyl)piperazine;2-methylpropane
CID 165137195
4-methyl-5-(piperidin-4-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
CID 119929810
3-(2-methylpropyl)-4-(piperidin-4-ylmethyl)piperazin-2-one
CID 120849320
1-(piperidin-4-ylmethyl)piperidin-4-one
CID 115020783
1-(piperidin-4-ylmethyl)pyrrolidin-2-one;dihydrochloride
CID 155973196
5-methyl-4-(piperidin-4-ylmethyl)-1,4-thiazepane 1,1-dioxide;hydrochloride
CID 120857963

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-4-(piperidin-4-ylmethyl)piperazin-2-one?
The IUPAC name of 1-ethyl-3-methyl-4-(piperidin-4-ylmethyl)piperazin-2-one (CID 120848952) is 1-ethyl-3-methyl-4-(piperidin-4-ylmethyl)piperazin-2-one.
What is the SMILES notation for 1-ethyl-3-methyl-4-(piperidin-4-ylmethyl)piperazin-2-one?
The canonical SMILES for 1-ethyl-3-methyl-4-(piperidin-4-ylmethyl)piperazin-2-one is CCN1CCN(CC2CCNCC2)C(C)C1=O.
What is the InChIKey of 1-ethyl-3-methyl-4-(piperidin-4-ylmethyl)piperazin-2-one?
The InChIKey is GKFFENZYRISLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-3-15-8-9-16(11(2)13(15)17)10-12-4-6-14-7-5-12/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 1-ethyl-3-methyl-4-(piperidin-4-ylmethyl)piperazin-2-one?
1-ethyl-3-methyl-4-(piperidin-4-ylmethyl)piperazin-2-one has a molecular weight of 239.36 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-4-(piperidin-4-ylmethyl)piperazin-2-one is sourced from PubChem (CID 120848952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).