1-[(1-ethylpiperidin-4-yl)methyl]-1,3-diazinan-2-one

C12H23N3O — CID 115371072

IUPAC1-[(1-ethylpiperidin-4-yl)methyl]-1,3-diazinan-2-one
SMILESCCN1CCC(CN2CCCNC2=O)CC1
InChIInChI=1S/C12H23N3O/c1-2-14-8-4-11(5-9-14)10-15-7-3-6-13-12(15)16/h11H,2-10H2,1H3,(H,13,16)
InChIKeyUFKPUGILSTYWGI-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.13
Rot. Bonds3

About 1-[(1-ethylpiperidin-4-yl)methyl]-1,3-diazinan-2-one

1-[(1-ethylpiperidin-4-yl)methyl]-1,3-diazinan-2-one (PubChem CID 115371072) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-[(1-ethylpiperidin-4-yl)methyl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[(1-ethylpiperidin-4-yl)methyl]-1,3-diazinan-2-one
PubChem CID115371072
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-[(1-ethylpiperidin-4-yl)methyl]-1,3-diazinan-2-one
SMILESCCN1CCC(CN2CCCNC2=O)CC1
InChIInChI=1S/C12H23N3O/c1-2-14-8-4-11(5-9-14)10-15-7-3-6-13-12(15)16/h11H,2-10H2,1H3,(H,13,16)
InChIKeyUFKPUGILSTYWGI-UHFFFAOYSA-N
XLogP1.13
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-1,3-diazinan-2-one
CID 21479220
4-[(2-oxo-1,3-diazinan-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 79525514
1-[(1-ethylpiperidin-4-yl)methyl]-3-(methylamino)azepan-2-one
CID 20798919
1-[(4-methylcyclohexyl)methyl]imidazolidin-2-one
CID 115370654
3-ethyl-1-[(1-ethylpiperidin-4-yl)methyl]piperazine-2,5-dione
CID 64967600
5-butan-2-yl-3-[(1-ethylpiperidin-4-yl)methyl]imidazolidin-4-one
CID 83248870
3,3-diethyl-1-[(1-ethylpyrrolidin-3-yl)methyl]piperazine-2,5-dione
CID 64963616
1-[(4,4-difluorocyclohexyl)methyl]imidazolidin-2-one
CID 139389018
1-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-1,3-diazinan-2-one
CID 130992688
1-(sulfanylmethyl)-1,3-diazinan-2-one
CID 118952516
1-[(1-ethylpiperidin-4-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one
CID 20798925
1-[2-(3-methylcyclohexyl)ethyl]-1,3-diazinan-2-one
CID 115371199

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpiperidin-4-yl)methyl]-1,3-diazinan-2-one?
The IUPAC name of 1-[(1-ethylpiperidin-4-yl)methyl]-1,3-diazinan-2-one (CID 115371072) is 1-[(1-ethylpiperidin-4-yl)methyl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-[(1-ethylpiperidin-4-yl)methyl]-1,3-diazinan-2-one?
The canonical SMILES for 1-[(1-ethylpiperidin-4-yl)methyl]-1,3-diazinan-2-one is CCN1CCC(CN2CCCNC2=O)CC1.
What is the InChIKey of 1-[(1-ethylpiperidin-4-yl)methyl]-1,3-diazinan-2-one?
The InChIKey is UFKPUGILSTYWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-2-14-8-4-11(5-9-14)10-15-7-3-6-13-12(15)16/h11H,2-10H2,1H3,(H,13,16).
What are the key properties of 1-[(1-ethylpiperidin-4-yl)methyl]-1,3-diazinan-2-one?
1-[(1-ethylpiperidin-4-yl)methyl]-1,3-diazinan-2-one has a molecular weight of 225.34 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpiperidin-4-yl)methyl]-1,3-diazinan-2-one is sourced from PubChem (CID 115371072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).