4-[(1-ethylpiperidin-3-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one

C14H27N3O2 — CID 20609804

IUPAC4-[(1-ethylpiperidin-3-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one
SMILESCCN1CCCC(CN2CCOCC(NC)C2=O)C1
InChIInChI=1S/C14H27N3O2/c1-3-16-6-4-5-12(9-16)10-17-7-8-19-11-13(15-2)14(17)18/h12-13,15H,3-11H2,1-2H3
InChIKeyZBZUPKGHHHNBCN-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.17
Rot. Bonds4

About 4-[(1-ethylpiperidin-3-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one

4-[(1-ethylpiperidin-3-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one (PubChem CID 20609804) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-[(1-ethylpiperidin-3-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one.

Molecular Properties

Compound Name4-[(1-ethylpiperidin-3-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one
PubChem CID20609804
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name4-[(1-ethylpiperidin-3-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one
SMILESCCN1CCCC(CN2CCOCC(NC)C2=O)C1
InChIInChI=1S/C14H27N3O2/c1-3-16-6-4-5-12(9-16)10-17-7-8-19-11-13(15-2)14(17)18/h12-13,15H,3-11H2,1-2H3
InChIKeyZBZUPKGHHHNBCN-UHFFFAOYSA-N
XLogP0.17
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylpentan-2-yl)morpholine-3-carboxamide
CID 65517865
N-(4-methyl-2-morpholin-4-ylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 133920129
(4-Methylpiperazin-1-yl)(1,4-oxazepan-6-yl)methanone
CID 66510056
4-[(1-Ethylpiperidin-4-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one
CID 20609805
4-[(1-Ethylazepan-3-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one
CID 20799002
(2S)-2-amino-4-methyl-N-(2-morpholin-4-ylethyl)pentanamide
CID 22690996
6-(Methylamino)-4-(2-methylbutan-2-yl)-1,4-oxazepan-5-one
CID 22984942
4-(Cyclobutylmethyl)-6-(methylamino)-1,4-oxazepan-5-one
CID 22985018
4-(Cycloheptylmethyl)-6-(methylamino)-1,4-oxazepan-5-one
CID 22985024
4-Cyclohexyl-6-(methylamino)-1,4-oxazepan-5-one
CID 22985028
4-(Cyclohexylmethyl)-6-(methylamino)-1,4-oxazepan-5-one
CID 22985031
4-Cyclopentyl-6-(methylamino)-1,4-oxazepan-5-one
CID 22985034

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylpiperidin-3-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one?
The IUPAC name of 4-[(1-ethylpiperidin-3-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one (CID 20609804) is 4-[(1-ethylpiperidin-3-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one.
What is the SMILES notation for 4-[(1-ethylpiperidin-3-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one?
The canonical SMILES for 4-[(1-ethylpiperidin-3-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one is CCN1CCCC(CN2CCOCC(NC)C2=O)C1.
What is the InChIKey of 4-[(1-ethylpiperidin-3-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one?
The InChIKey is ZBZUPKGHHHNBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-3-16-6-4-5-12(9-16)10-17-7-8-19-11-13(15-2)14(17)18/h12-13,15H,3-11H2,1-2H3.
What are the key properties of 4-[(1-ethylpiperidin-3-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one?
4-[(1-ethylpiperidin-3-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one has a molecular weight of 269.39 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylpiperidin-3-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one is sourced from PubChem (CID 20609804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).