1-[(1-ethylpiperidin-3-yl)methyl]-6,6-dimethyl-3-(methylamino)azepan-2-one

C17H33N3O — CID 20798915

IUPAC1-[(1-ethylpiperidin-3-yl)methyl]-6,6-dimethyl-3-(methylamino)azepan-2-one
SMILESCCN1CCCC(CN2CC(C)(C)CCC(NC)C2=O)C1
InChIInChI=1S/C17H33N3O/c1-5-19-10-6-7-14(11-19)12-20-13-17(2,3)9-8-15(18-4)16(20)21/h14-15,18H,5-13H2,1-4H3
InChIKeyGQMWUGXPZYNXEU-UHFFFAOYSA-N
MW295.47 g/mol
LogP1.95
Rot. Bonds4

About 1-[(1-ethylpiperidin-3-yl)methyl]-6,6-dimethyl-3-(methylamino)azepan-2-one

1-[(1-ethylpiperidin-3-yl)methyl]-6,6-dimethyl-3-(methylamino)azepan-2-one (PubChem CID 20798915) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 1-[(1-ethylpiperidin-3-yl)methyl]-6,6-dimethyl-3-(methylamino)azepan-2-one.

Molecular Properties

Compound Name1-[(1-ethylpiperidin-3-yl)methyl]-6,6-dimethyl-3-(methylamino)azepan-2-one
PubChem CID20798915
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name1-[(1-ethylpiperidin-3-yl)methyl]-6,6-dimethyl-3-(methylamino)azepan-2-one
SMILESCCN1CCCC(CN2CC(C)(C)CCC(NC)C2=O)C1
InChIInChI=1S/C17H33N3O/c1-5-19-10-6-7-14(11-19)12-20-13-17(2,3)9-8-15(18-4)16(20)21/h14-15,18H,5-13H2,1-4H3
InChIKeyGQMWUGXPZYNXEU-UHFFFAOYSA-N
XLogP1.95
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,6-dimethyl-3-(methylamino)-1-(thian-3-ylmethyl)azepan-2-one
CID 22985179
1-(cycloheptylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclohexylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one
CID 91071377
6,6-dimethyl-3-(methylamino)-1-(2-oxopropyl)azepan-2-one
CID 22984769
1-[(1-ethylpiperidin-4-yl)methyl]-3-(methylamino)azepan-2-one
CID 20798919
methyl 2-[6,6-dimethyl-3-(methylamino)-2-oxoazepan-1-yl]acetate
CID 22985327
1-(cyclopropylmethyl)-5,5-dimethyl-3-(methylamino)azepan-2-one
CID 22984848
1-(cycloheptylmethyl)-3-(methylamino)azepan-2-one
CID 22984797
6,6-dimethyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one
CID 20590079
1-[(1-ethylpiperidin-4-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one
CID 20798925
6-[(1-ethylazepan-3-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one
CID 23554761
4-(cyclopentylmethyl)-6-(methylamino)-1,4-oxazepan-5-one
CID 22985037
1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(methylamino)piperidin-2-one
CID 107165265

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpiperidin-3-yl)methyl]-6,6-dimethyl-3-(methylamino)azepan-2-one?
The IUPAC name of 1-[(1-ethylpiperidin-3-yl)methyl]-6,6-dimethyl-3-(methylamino)azepan-2-one (CID 20798915) is 1-[(1-ethylpiperidin-3-yl)methyl]-6,6-dimethyl-3-(methylamino)azepan-2-one.
What is the SMILES notation for 1-[(1-ethylpiperidin-3-yl)methyl]-6,6-dimethyl-3-(methylamino)azepan-2-one?
The canonical SMILES for 1-[(1-ethylpiperidin-3-yl)methyl]-6,6-dimethyl-3-(methylamino)azepan-2-one is CCN1CCCC(CN2CC(C)(C)CCC(NC)C2=O)C1.
What is the InChIKey of 1-[(1-ethylpiperidin-3-yl)methyl]-6,6-dimethyl-3-(methylamino)azepan-2-one?
The InChIKey is GQMWUGXPZYNXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-5-19-10-6-7-14(11-19)12-20-13-17(2,3)9-8-15(18-4)16(20)21/h14-15,18H,5-13H2,1-4H3.
What are the key properties of 1-[(1-ethylpiperidin-3-yl)methyl]-6,6-dimethyl-3-(methylamino)azepan-2-one?
1-[(1-ethylpiperidin-3-yl)methyl]-6,6-dimethyl-3-(methylamino)azepan-2-one has a molecular weight of 295.47 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpiperidin-3-yl)methyl]-6,6-dimethyl-3-(methylamino)azepan-2-one is sourced from PubChem (CID 20798915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).