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

C15H28N4O — CID 81199974

IUPAC2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1-piperazin-1-ylethanone
SMILESCN1CCCC2CN(CC(=O)N3CCNCC3)CCC21
InChIInChI=1S/C15H28N4O/c1-17-7-2-3-13-11-18(8-4-14(13)17)12-15(20)19-9-5-16-6-10-19/h13-14,16H,2-12H2,1H3
InChIKeyZVDYZQYYFUJGEL-UHFFFAOYSA-N
MW280.42 g/mol
LogP-0.17
Rot. Bonds2

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

2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1-piperazin-1-ylethanone (PubChem CID 81199974) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1-piperazin-1-ylethanone
PubChem CID81199974
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1-piperazin-1-ylethanone
SMILESCN1CCCC2CN(CC(=O)N3CCNCC3)CCC21
InChIInChI=1S/C15H28N4O/c1-17-7-2-3-13-11-18(8-4-14(13)17)12-15(20)19-9-5-16-6-10-19/h13-14,16H,2-12H2,1H3
InChIKeyZVDYZQYYFUJGEL-UHFFFAOYSA-N
XLogP-0.17
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-piperazin-1-ylethanone
CID 81491611
2-(3-methylpyrrolidin-1-yl)-1-piperazin-1-ylethanone
CID 61226175
1-(1,4-diazepan-1-yl)-2-(3,4-dimethylpiperazin-1-yl)ethanone
CID 63611089
1-(1,4-diazepan-1-yl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone
CID 79175503
3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanamide
CID 81198649
5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pentanoic acid
CID 81200094
4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-4-oxobutanoic acid
CID 81196833
1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanone
CID 73102563
2-methyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanoic acid
CID 81198905
2,2-dimethyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)hexanoic acid
CID 106714107
1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butane-1,3-dione
CID 81200263
1-piperazin-1-yl-2-pyrrolidin-1-ylethanone
CID 13057079

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1-piperazin-1-ylethanone?
The IUPAC name of 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1-piperazin-1-ylethanone (CID 81199974) is 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1-piperazin-1-ylethanone is CN1CCCC2CN(CC(=O)N3CCNCC3)CCC21.
What is the InChIKey of 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1-piperazin-1-ylethanone?
The InChIKey is ZVDYZQYYFUJGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-17-7-2-3-13-11-18(8-4-14(13)17)12-15(20)19-9-5-16-6-10-19/h13-14,16H,2-12H2,1H3.
What are the key properties of 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1-piperazin-1-ylethanone?
2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1-piperazin-1-ylethanone has a molecular weight of 280.42 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1-piperazin-1-ylethanone is sourced from PubChem (CID 81199974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).