1-[8-(2-methylpiperidine-1-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone

C17H23N3O2 — CID 91949232

IUPAC1-[8-(2-methylpiperidine-1-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone
SMILESCC(=O)N1Cc2cccnc2C(C(=O)N2CCCCC2C)C1
InChIInChI=1S/C17H23N3O2/c1-12-6-3-4-9-20(12)17(22)15-11-19(13(2)21)10-14-7-5-8-18-16(14)15/h5,7-8,12,15H,3-4,6,9-11H2,1-2H3
InChIKeyCSHXNXXKWCILPQ-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.93
Rot. Bonds1

About 1-[8-(2-methylpiperidine-1-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone

1-[8-(2-methylpiperidine-1-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone (PubChem CID 91949232) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-[8-(2-methylpiperidine-1-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone.

Molecular Properties

Compound Name1-[8-(2-methylpiperidine-1-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone
PubChem CID91949232
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-[8-(2-methylpiperidine-1-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone
SMILESCC(=O)N1Cc2cccnc2C(C(=O)N2CCCCC2C)C1
InChIInChI=1S/C17H23N3O2/c1-12-6-3-4-9-20(12)17(22)15-11-19(13(2)21)10-14-7-5-8-18-16(14)15/h5,7-8,12,15H,3-4,6,9-11H2,1-2H3
InChIKeyCSHXNXXKWCILPQ-UHFFFAOYSA-N
XLogP1.93
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[8-(2-methylpiperidine-1-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone?
The IUPAC name of 1-[8-(2-methylpiperidine-1-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone (CID 91949232) is 1-[8-(2-methylpiperidine-1-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone.
What is the SMILES notation for 1-[8-(2-methylpiperidine-1-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone?
The canonical SMILES for 1-[8-(2-methylpiperidine-1-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone is CC(=O)N1Cc2cccnc2C(C(=O)N2CCCCC2C)C1.
What is the InChIKey of 1-[8-(2-methylpiperidine-1-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone?
The InChIKey is CSHXNXXKWCILPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12-6-3-4-9-20(12)17(22)15-11-19(13(2)21)10-14-7-5-8-18-16(14)15/h5,7-8,12,15H,3-4,6,9-11H2,1-2H3.
What are the key properties of 1-[8-(2-methylpiperidine-1-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone?
1-[8-(2-methylpiperidine-1-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone has a molecular weight of 301.39 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(2-methylpiperidine-1-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone is sourced from PubChem (CID 91949232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).