1-ethyl-4-(pyridin-4-ylmethyl)piperazin-2-one

C12H17N3O — CID 117013569

IUPAC1-ethyl-4-(pyridin-4-ylmethyl)piperazin-2-one
SMILESCCN1CCN(Cc2ccncc2)CC1=O
InChIInChI=1S/C12H17N3O/c1-2-15-8-7-14(10-12(15)16)9-11-3-5-13-6-4-11/h3-6H,2,7-10H2,1H3
InChIKeyMKTCJDFOSGDEEW-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.75
Rot. Bonds3

About 1-ethyl-4-(pyridin-4-ylmethyl)piperazin-2-one

1-ethyl-4-(pyridin-4-ylmethyl)piperazin-2-one (PubChem CID 117013569) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-ethyl-4-(pyridin-4-ylmethyl)piperazin-2-one.

Molecular Properties

Compound Name1-ethyl-4-(pyridin-4-ylmethyl)piperazin-2-one
PubChem CID117013569
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-ethyl-4-(pyridin-4-ylmethyl)piperazin-2-one
SMILESCCN1CCN(Cc2ccncc2)CC1=O
InChIInChI=1S/C12H17N3O/c1-2-15-8-7-14(10-12(15)16)9-11-3-5-13-6-4-11/h3-6H,2,7-10H2,1H3
InChIKeyMKTCJDFOSGDEEW-UHFFFAOYSA-N
XLogP0.75
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-1-ethylpiperazin-2-one;ethane
CID 143408188
1-methyl-4-(pyridin-4-ylmethyl)-1,4-diazepan-2-one
CID 117005343
1-(pyridin-4-ylmethyl)-4-[[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazine
CID 132515507
1-ethyl-4-(2-pyridin-4-ylethyl)piperazine-2,5-dione
CID 20641711
4-ethyl-1-[(4-fluorophenyl)methyl]piperazin-2-one
CID 166827609
4-[(5-tert-butyl-2-pyridinyl)methyl]-1-ethylpiperazin-2-one
CID 176702548
1-(pyridin-4-ylmethyl)piperidin-4-one
CID 10997815
1-ethyl-4-(2-methylpropyl)piperazin-2-one
CID 117013553
4-benzyl-1-(3,3-dimethylbutyl)piperazin-2-one
CID 167436677
1-ethyl-4-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazin-2-one
CID 123925176
1-benzyl-4-(pyridin-2-ylmethyl)piperazin-2-one
CID 154580851
tert-butyl 3-oxo-4-(pyridin-4-ylmethyl)piperazine-1-carboxylate
CID 71304664

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(pyridin-4-ylmethyl)piperazin-2-one?
The IUPAC name of 1-ethyl-4-(pyridin-4-ylmethyl)piperazin-2-one (CID 117013569) is 1-ethyl-4-(pyridin-4-ylmethyl)piperazin-2-one.
What is the SMILES notation for 1-ethyl-4-(pyridin-4-ylmethyl)piperazin-2-one?
The canonical SMILES for 1-ethyl-4-(pyridin-4-ylmethyl)piperazin-2-one is CCN1CCN(Cc2ccncc2)CC1=O.
What is the InChIKey of 1-ethyl-4-(pyridin-4-ylmethyl)piperazin-2-one?
The InChIKey is MKTCJDFOSGDEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-2-15-8-7-14(10-12(15)16)9-11-3-5-13-6-4-11/h3-6H,2,7-10H2,1H3.
What are the key properties of 1-ethyl-4-(pyridin-4-ylmethyl)piperazin-2-one?
1-ethyl-4-(pyridin-4-ylmethyl)piperazin-2-one has a molecular weight of 219.29 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(pyridin-4-ylmethyl)piperazin-2-one is sourced from PubChem (CID 117013569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).