1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-propan-2-yloxyethanone

C14H26N2O2 — CID 112700457

IUPAC1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)N1CCC2C(CCCN2C)C1
InChIInChI=1S/C14H26N2O2/c1-11(2)18-10-14(17)16-8-6-13-12(9-16)5-4-7-15(13)3/h11-13H,4-10H2,1-3H3
InChIKeyGLDDDULQASBJQN-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.35
Rot. Bonds3

About 1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-propan-2-yloxyethanone

1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-propan-2-yloxyethanone (PubChem CID 112700457) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-propan-2-yloxyethanone.

Molecular Properties

Compound Name1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-propan-2-yloxyethanone
PubChem CID112700457
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)N1CCC2C(CCCN2C)C1
InChIInChI=1S/C14H26N2O2/c1-11(2)18-10-14(17)16-8-6-13-12(9-16)5-4-7-15(13)3/h11-13H,4-10H2,1-3H3
InChIKeyGLDDDULQASBJQN-UHFFFAOYSA-N
XLogP1.35
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-propan-2-yloxyethanone with MolForge

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Related Compounds

2-Butoxy-1-(6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl)ethanone
CID 71914864
2-butan-2-yloxy-N-(1-ethyl-3-methylpiperidin-4-yl)-N-methylacetamide
CID 75387450
[(4aR,8aS)-6-(2-methylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]-(oxolan-2-yl)methanone
CID 126465103
5-Methyl-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)morpholin-3-one
CID 18552195
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propane-1,3-dione
CID 49839860
4-[4-[(Dimethylamino)methyl]cyclohexyl]morpholin-3-one
CID 58437657
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(2,6-dimethylmorpholin-4-yl)propane-1,3-dione
CID 70817740
1-[4-(1-Acetylpiperidin-2-yl)piperidin-1-yl]-2-methoxyethanone
CID 123368154
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-[(2R)-2,6-dimethylmorpholin-4-yl]propane-1,3-dione
CID 144100827
2-Propan-2-yloxy-1-[4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazin-1-yl]ethanone
CID 172494068
2-Propan-2-yloxy-1-[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]ethanone
CID 172511223
2-Methoxy-1-[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]ethanone
CID 172604161

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-propan-2-yloxyethanone?
The IUPAC name of 1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-propan-2-yloxyethanone (CID 112700457) is 1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-propan-2-yloxyethanone.
What is the SMILES notation for 1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-propan-2-yloxyethanone?
The canonical SMILES for 1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-propan-2-yloxyethanone is CC(C)OCC(=O)N1CCC2C(CCCN2C)C1.
What is the InChIKey of 1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-propan-2-yloxyethanone?
The InChIKey is GLDDDULQASBJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-11(2)18-10-14(17)16-8-6-13-12(9-16)5-4-7-15(13)3/h11-13H,4-10H2,1-3H3.
What are the key properties of 1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-propan-2-yloxyethanone?
1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-propan-2-yloxyethanone has a molecular weight of 254.37 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-propan-2-yloxyethanone is sourced from PubChem (CID 112700457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).