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

C14H27N3O2 — CID 20609805

IUPAC4-[(1-ethylpiperidin-4-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one
SMILESCCN1CCC(CN2CCOCC(NC)C2=O)CC1
InChIInChI=1S/C14H27N3O2/c1-3-16-6-4-12(5-7-16)10-17-8-9-19-11-13(15-2)14(17)18/h12-13,15H,3-11H2,1-2H3
InChIKeyCHBKLVBMLJLQQZ-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.17
Rot. Bonds4

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

4-[(1-ethylpiperidin-4-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one (PubChem CID 20609805) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-[(1-ethylpiperidin-4-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one.

Molecular Properties

Compound Name4-[(1-ethylpiperidin-4-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one
PubChem CID20609805
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name4-[(1-ethylpiperidin-4-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one
SMILESCCN1CCC(CN2CCOCC(NC)C2=O)CC1
InChIInChI=1S/C14H27N3O2/c1-3-16-6-4-12(5-7-16)10-17-8-9-19-11-13(15-2)14(17)18/h12-13,15H,3-11H2,1-2H3
InChIKeyCHBKLVBMLJLQQZ-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

LM11A-31
CID 18604758
2-amino-3-methyl-N-[2-(morpholin-4-yl)ethyl]pentanamide
CID 11959372
N-(1-methoxypropan-2-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 45796799
N1-((1-isopropylpiperidin-4-yl)methyl)-N2-(2-methoxyethyl)oxalamide
CID 16886587
N1-isopropyl-N2-((1-(2-methoxyethyl)piperidin-4-yl)methyl)oxalamide
CID 16886714
N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 45794288
N-(3-methylpentan-2-yl)morpholine-3-carboxamide
CID 65517865
1-[4-(Azepane-1-carbonyl)piperidin-1-yl]-2-[(1-ethoxy-2-methylpropan-2-yl)amino]ethanone
CID 126809754
N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 55596402
Morpholin-3-yl-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 65538754
N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-3-carboxamide
CID 119898393
2-amino-3-methoxy-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]propanamide
CID 121763432

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylpiperidin-4-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one?
The IUPAC name of 4-[(1-ethylpiperidin-4-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one (CID 20609805) is 4-[(1-ethylpiperidin-4-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one.
What is the SMILES notation for 4-[(1-ethylpiperidin-4-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one?
The canonical SMILES for 4-[(1-ethylpiperidin-4-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one is CCN1CCC(CN2CCOCC(NC)C2=O)CC1.
What is the InChIKey of 4-[(1-ethylpiperidin-4-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one?
The InChIKey is CHBKLVBMLJLQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-3-16-6-4-12(5-7-16)10-17-8-9-19-11-13(15-2)14(17)18/h12-13,15H,3-11H2,1-2H3.
What are the key properties of 4-[(1-ethylpiperidin-4-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one?
4-[(1-ethylpiperidin-4-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-4-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one is sourced from PubChem (CID 20609805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).