1-[2-[methyl(oxan-3-ylmethyl)amino]acetyl]piperidin-4-one

C14H24N2O3 — CID 63712793

IUPAC1-[2-[methyl(oxan-3-ylmethyl)amino]acetyl]piperidin-4-one
SMILESCN(CC(=O)N1CCC(=O)CC1)CC1CCCOC1
InChIInChI=1S/C14H24N2O3/c1-15(9-12-3-2-8-19-11-12)10-14(18)16-6-4-13(17)5-7-16/h12H,2-11H2,1H3
InChIKeyKOQUOXIBDJYGNF-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.54
Rot. Bonds4

About 1-[2-[methyl(oxan-3-ylmethyl)amino]acetyl]piperidin-4-one

1-[2-[methyl(oxan-3-ylmethyl)amino]acetyl]piperidin-4-one (PubChem CID 63712793) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[2-[methyl(oxan-3-ylmethyl)amino]acetyl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-[methyl(oxan-3-ylmethyl)amino]acetyl]piperidin-4-one
PubChem CID63712793
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-[2-[methyl(oxan-3-ylmethyl)amino]acetyl]piperidin-4-one
SMILESCN(CC(=O)N1CCC(=O)CC1)CC1CCCOC1
InChIInChI=1S/C14H24N2O3/c1-15(9-12-3-2-8-19-11-12)10-14(18)16-6-4-13(17)5-7-16/h12H,2-11H2,1H3
InChIKeyKOQUOXIBDJYGNF-UHFFFAOYSA-N
XLogP0.54
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl(oxan-3-ylmethyl)amino]acetamide
CID 63713511
1-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetyl]piperidin-4-one
CID 79318665
2-[methyl(oxan-3-ylmethyl)amino]-1-(4-propan-2-ylphenyl)ethanone
CID 63713462
4-amino-3-[methyl(oxan-3-ylmethyl)amino]-1-pyrrolidin-1-ylbutan-1-one
CID 66432936
2-[methyl(piperidin-3-ylmethyl)amino]-1-morpholin-4-ylethanone;hydrochloride
CID 119930321
1-[2-(oxolan-3-ylmethoxy)acetyl]piperidin-4-one
CID 54977254
3-[methyl(oxolan-3-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120982089
1-[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]piperidin-4-one
CID 79389678
2-[[methyl(oxan-3-ylmethyl)amino]methyl]prop-2-ene-1-thiol
CID 103073181
N-methyl-N-(oxan-3-ylmethyl)hydroxylamine
CID 82594564
2-[methyl-[[(1R,3R)-3-methylcyclopentyl]methyl]amino]-1-morpholin-4-ylethanone
CID 124864588
1-(3,4-dimethylphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone
CID 63713632

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl(oxan-3-ylmethyl)amino]acetyl]piperidin-4-one?
The IUPAC name of 1-[2-[methyl(oxan-3-ylmethyl)amino]acetyl]piperidin-4-one (CID 63712793) is 1-[2-[methyl(oxan-3-ylmethyl)amino]acetyl]piperidin-4-one.
What is the SMILES notation for 1-[2-[methyl(oxan-3-ylmethyl)amino]acetyl]piperidin-4-one?
The canonical SMILES for 1-[2-[methyl(oxan-3-ylmethyl)amino]acetyl]piperidin-4-one is CN(CC(=O)N1CCC(=O)CC1)CC1CCCOC1.
What is the InChIKey of 1-[2-[methyl(oxan-3-ylmethyl)amino]acetyl]piperidin-4-one?
The InChIKey is KOQUOXIBDJYGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-15(9-12-3-2-8-19-11-12)10-14(18)16-6-4-13(17)5-7-16/h12H,2-11H2,1H3.
What are the key properties of 1-[2-[methyl(oxan-3-ylmethyl)amino]acetyl]piperidin-4-one?
1-[2-[methyl(oxan-3-ylmethyl)amino]acetyl]piperidin-4-one has a molecular weight of 268.36 g/mol, XLogP of 0.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl(oxan-3-ylmethyl)amino]acetyl]piperidin-4-one is sourced from PubChem (CID 63712793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).