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

C18H25N3O3 — CID 91949318

IUPAC1-[8-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone
SMILESCC(=O)N1Cc2cccnc2C(C(=O)N2CCCCC2CCO)C1
InChIInChI=1S/C18H25N3O3/c1-13(23)20-11-14-5-4-8-19-17(14)16(12-20)18(24)21-9-3-2-6-15(21)7-10-22/h4-5,8,15-16,22H,2-3,6-7,9-12H2,1H3
InChIKeyVAWGCDACGAGPDS-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.29
Rot. Bonds3

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

1-[8-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone (PubChem CID 91949318) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-[8-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone.

Molecular Properties

Compound Name1-[8-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone
PubChem CID91949318
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name1-[8-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone
SMILESCC(=O)N1Cc2cccnc2C(C(=O)N2CCCCC2CCO)C1
InChIInChI=1S/C18H25N3O3/c1-13(23)20-11-14-5-4-8-19-17(14)16(12-20)18(24)21-9-3-2-6-15(21)7-10-22/h4-5,8,15-16,22H,2-3,6-7,9-12H2,1H3
InChIKeyVAWGCDACGAGPDS-UHFFFAOYSA-N
XLogP1.29
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[8-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone?
The IUPAC name of 1-[8-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone (CID 91949318) is 1-[8-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone.
What is the SMILES notation for 1-[8-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone?
The canonical SMILES for 1-[8-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone is CC(=O)N1Cc2cccnc2C(C(=O)N2CCCCC2CCO)C1.
What is the InChIKey of 1-[8-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone?
The InChIKey is VAWGCDACGAGPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-13(23)20-11-14-5-4-8-19-17(14)16(12-20)18(24)21-9-3-2-6-15(21)7-10-22/h4-5,8,15-16,22H,2-3,6-7,9-12H2,1H3.
What are the key properties of 1-[8-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone?
1-[8-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone has a molecular weight of 331.42 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone is sourced from PubChem (CID 91949318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).