2-(methoxymethyl)-5-[6-(piperidine-1-carbonyl)-3,4,7,8-tetrahydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroinden-1-one

C25H31N3O3 — CID 167390604

IUPAC2-(methoxymethyl)-5-[6-(piperidine-1-carbonyl)-3,4,7,8-tetrahydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroinden-1-one
SMILESCOCC1Cc2cc(N3CCCC4=C3NCC(C(=O)N3CCCCC3)=C4)ccc2C1=O
InChIInChI=1S/C25H31N3O3/c1-31-16-20-13-18-14-21(7-8-22(18)23(20)29)28-11-5-6-17-12-19(15-26-24(17)28)25(30)27-9-3-2-4-10-27/h7-8,12,14,20,26H,2-6,9-11,13,15-16H2,1H3
InChIKeyIJPXRBVCMSTDRM-UHFFFAOYSA-N
MW421.54 g/mol
LogP3.04
Rot. Bonds4

About 2-(methoxymethyl)-5-[6-(piperidine-1-carbonyl)-3,4,7,8-tetrahydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroinden-1-one

2-(methoxymethyl)-5-[6-(piperidine-1-carbonyl)-3,4,7,8-tetrahydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroinden-1-one (PubChem CID 167390604) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is 2-(methoxymethyl)-5-[6-(piperidine-1-carbonyl)-3,4,7,8-tetrahydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name2-(methoxymethyl)-5-[6-(piperidine-1-carbonyl)-3,4,7,8-tetrahydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroinden-1-one
PubChem CID167390604
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Name2-(methoxymethyl)-5-[6-(piperidine-1-carbonyl)-3,4,7,8-tetrahydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroinden-1-one
SMILESCOCC1Cc2cc(N3CCCC4=C3NCC(C(=O)N3CCCCC3)=C4)ccc2C1=O
InChIInChI=1S/C25H31N3O3/c1-31-16-20-13-18-14-21(7-8-22(18)23(20)29)28-11-5-6-17-12-19(15-26-24(17)28)25(30)27-9-3-2-4-10-27/h7-8,12,14,20,26H,2-6,9-11,13,15-16H2,1H3
InChIKeyIJPXRBVCMSTDRM-UHFFFAOYSA-N
XLogP3.04
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(methoxymethyl)-5-[6-(piperidine-1-carbonyl)-3,4,7,8-tetrahydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroinden-1-one with MolForge

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Related Compounds

2-(2-methoxyethyl)-5-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroinden-1-one
CID 166886458
2-(2-ethoxyethyl)-5-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroinden-1-one
CID 166887007
2-[2-(oxetan-3-yl)ethyl]-5-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroinden-1-one
CID 166887023
(2S)-2-ethyl-5-[2-(3-methylpyrrolidine-1-carbonyl)-1,4,5,6-tetrahydropyrrolo[2,3-b]pyridin-7-yl]-2,3-dihydroinden-1-one
CID 154994033
2-(methoxymethyl)-2,3-dihydroinden-1-one
CID 71409050
2-(2-ethoxyethyl)-5-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3H-isoindol-1-one
CID 154994948
[8-(4-methoxyphenyl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone
CID 154994822
7-(azepane-1-carbonyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one
CID 110384168
5-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroisoindol-1-one
CID 154995043
5-[6-[(3S)-3-(difluoromethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2-ethyl-3H-isoindol-1-one
CID 154994586
N-(2-butyl-1-oxo-2,3-dihydroinden-5-yl)acetamide;N-(1-oxo-2,3-dihydroinden-5-yl)acetamide
CID 162121453
ethyl 8-(2-ethyl-1-oxo-3H-isoindol-5-yl)-6,7-dihydro-5H-1,8-naphthyridine-3-carboxylate
CID 154994092

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-5-[6-(piperidine-1-carbonyl)-3,4,7,8-tetrahydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroinden-1-one?
The IUPAC name of 2-(methoxymethyl)-5-[6-(piperidine-1-carbonyl)-3,4,7,8-tetrahydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroinden-1-one (CID 167390604) is 2-(methoxymethyl)-5-[6-(piperidine-1-carbonyl)-3,4,7,8-tetrahydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroinden-1-one.
What is the SMILES notation for 2-(methoxymethyl)-5-[6-(piperidine-1-carbonyl)-3,4,7,8-tetrahydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroinden-1-one?
The canonical SMILES for 2-(methoxymethyl)-5-[6-(piperidine-1-carbonyl)-3,4,7,8-tetrahydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroinden-1-one is COCC1Cc2cc(N3CCCC4=C3NCC(C(=O)N3CCCCC3)=C4)ccc2C1=O.
What is the InChIKey of 2-(methoxymethyl)-5-[6-(piperidine-1-carbonyl)-3,4,7,8-tetrahydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroinden-1-one?
The InChIKey is IJPXRBVCMSTDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-31-16-20-13-18-14-21(7-8-22(18)23(20)29)28-11-5-6-17-12-19(15-26-24(17)28)25(30)27-9-3-2-4-10-27/h7-8,12,14,20,26H,2-6,9-11,13,15-16H2,1H3.
What are the key properties of 2-(methoxymethyl)-5-[6-(piperidine-1-carbonyl)-3,4,7,8-tetrahydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroinden-1-one?
2-(methoxymethyl)-5-[6-(piperidine-1-carbonyl)-3,4,7,8-tetrahydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroinden-1-one has a molecular weight of 421.54 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-5-[6-(piperidine-1-carbonyl)-3,4,7,8-tetrahydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 167390604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).