1-[5-[4-(hydroxymethyl)piperidine-1-carbonyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone

C17H23N3O3 — CID 112531749

IUPAC1-[5-[4-(hydroxymethyl)piperidine-1-carbonyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone
SMILESCC(=O)N1CCc2c(cncc2C(=O)N2CCC(CO)CC2)C1
InChIInChI=1S/C17H23N3O3/c1-12(22)20-7-4-15-14(10-20)8-18-9-16(15)17(23)19-5-2-13(11-21)3-6-19/h8-9,13,21H,2-7,10-11H2,1H3
InChIKeyUPILOLHQWRCCAY-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.83
Rot. Bonds2

About 1-[5-[4-(hydroxymethyl)piperidine-1-carbonyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone

1-[5-[4-(hydroxymethyl)piperidine-1-carbonyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone (PubChem CID 112531749) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-[5-[4-(hydroxymethyl)piperidine-1-carbonyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[4-(hydroxymethyl)piperidine-1-carbonyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone
PubChem CID112531749
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name1-[5-[4-(hydroxymethyl)piperidine-1-carbonyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone
SMILESCC(=O)N1CCc2c(cncc2C(=O)N2CCC(CO)CC2)C1
InChIInChI=1S/C17H23N3O3/c1-12(22)20-7-4-15-14(10-20)8-18-9-16(15)17(23)19-5-2-13(11-21)3-6-19/h8-9,13,21H,2-7,10-11H2,1H3
InChIKeyUPILOLHQWRCCAY-UHFFFAOYSA-N
XLogP0.83
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(hydroxymethyl)piperidine-1-carbonyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone?
The IUPAC name of 1-[5-[4-(hydroxymethyl)piperidine-1-carbonyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone (CID 112531749) is 1-[5-[4-(hydroxymethyl)piperidine-1-carbonyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone.
What is the SMILES notation for 1-[5-[4-(hydroxymethyl)piperidine-1-carbonyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone?
The canonical SMILES for 1-[5-[4-(hydroxymethyl)piperidine-1-carbonyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone is CC(=O)N1CCc2c(cncc2C(=O)N2CCC(CO)CC2)C1.
What is the InChIKey of 1-[5-[4-(hydroxymethyl)piperidine-1-carbonyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone?
The InChIKey is UPILOLHQWRCCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-12(22)20-7-4-15-14(10-20)8-18-9-16(15)17(23)19-5-2-13(11-21)3-6-19/h8-9,13,21H,2-7,10-11H2,1H3.
What are the key properties of 1-[5-[4-(hydroxymethyl)piperidine-1-carbonyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone?
1-[5-[4-(hydroxymethyl)piperidine-1-carbonyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone has a molecular weight of 317.39 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(hydroxymethyl)piperidine-1-carbonyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone is sourced from PubChem (CID 112531749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).