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

C27H33N3O3 — CID 166887007

IUPAC2-(2-ethoxyethyl)-5-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroinden-1-one
SMILESCCOCCC1Cc2cc(N3CCCc4cc(C(=O)N5CCCCC5)cnc43)ccc2C1=O
InChIInChI=1S/C27H33N3O3/c1-2-33-14-10-19-15-21-17-23(8-9-24(21)25(19)31)30-13-6-7-20-16-22(18-28-26(20)30)27(32)29-11-4-3-5-12-29/h8-9,16-19H,2-7,10-15H2,1H3
InChIKeyDJXUOFLZYMYBMW-UHFFFAOYSA-N
MW447.58 g/mol
LogP4.57
Rot. Bonds6

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

2-(2-ethoxyethyl)-5-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroinden-1-one (PubChem CID 166887007) has the molecular formula C27H33N3O3 and a molecular weight of 447.58 g/mol. Its IUPAC name is 2-(2-ethoxyethyl)-5-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name2-(2-ethoxyethyl)-5-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroinden-1-one
PubChem CID166887007
Molecular FormulaC27H33N3O3
Molecular Weight447.58 g/mol
Exact Mass447.25
IUPAC Name2-(2-ethoxyethyl)-5-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroinden-1-one
SMILESCCOCCC1Cc2cc(N3CCCc4cc(C(=O)N5CCCCC5)cnc43)ccc2C1=O
InChIInChI=1S/C27H33N3O3/c1-2-33-14-10-19-15-21-17-23(8-9-24(21)25(19)31)30-13-6-7-20-16-22(18-28-26(20)30)27(32)29-11-4-3-5-12-29/h8-9,16-19H,2-7,10-15H2,1H3
InChIKeyDJXUOFLZYMYBMW-UHFFFAOYSA-N
XLogP4.57
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-(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
2-(2-ethoxyethyl)-5-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3H-isoindol-1-one
CID 154994948
4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzoic acid
CID 154994854
[8-(4-methoxyphenyl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone
CID 154994822
6-methyl-3-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-5H-pyrrolo[3,4-b]pyridin-7-one
CID 167390377
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
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
4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzenecarboximidamide
CID 166886356
5-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroisoindol-1-one
CID 154995043
1-[2-imino-4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-1-pyridinyl]-2-methylidenebutan-1-one
CID 166886748
[8-(3-ethyl-4-methylcyclohexa-1,3-dien-1-yl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone
CID 166887012

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethyl)-5-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroinden-1-one?
The IUPAC name of 2-(2-ethoxyethyl)-5-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroinden-1-one (CID 166887007) is 2-(2-ethoxyethyl)-5-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroinden-1-one.
What is the SMILES notation for 2-(2-ethoxyethyl)-5-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroinden-1-one?
The canonical SMILES for 2-(2-ethoxyethyl)-5-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroinden-1-one is CCOCCC1Cc2cc(N3CCCc4cc(C(=O)N5CCCCC5)cnc43)ccc2C1=O.
What is the InChIKey of 2-(2-ethoxyethyl)-5-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroinden-1-one?
The InChIKey is DJXUOFLZYMYBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O3/c1-2-33-14-10-19-15-21-17-23(8-9-24(21)25(19)31)30-13-6-7-20-16-22(18-28-26(20)30)27(32)29-11-4-3-5-12-29/h8-9,16-19H,2-7,10-15H2,1H3.
What are the key properties of 2-(2-ethoxyethyl)-5-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroinden-1-one?
2-(2-ethoxyethyl)-5-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroinden-1-one has a molecular weight of 447.58 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethyl)-5-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 166887007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).