1-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]piperidine-2,6-dione

C21H23N3O3 — CID 154000672

IUPAC1-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1OCc1ccc(CN2CCc3ncccc3C2)cc1
InChIInChI=1S/C21H23N3O3/c25-20-4-1-5-21(26)24(20)27-15-17-8-6-16(7-9-17)13-23-12-10-19-18(14-23)3-2-11-22-19/h2-3,6-9,11H,1,4-5,10,12-15H2
InChIKeyQRQBDACFCYGYRN-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.61
Rot. Bonds5

About 1-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]piperidine-2,6-dione

1-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]piperidine-2,6-dione (PubChem CID 154000672) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]piperidine-2,6-dione
PubChem CID154000672
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name1-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1OCc1ccc(CN2CCc3ncccc3C2)cc1
InChIInChI=1S/C21H23N3O3/c25-20-4-1-5-21(26)24(20)27-15-17-8-6-16(7-9-17)13-23-12-10-19-18(14-23)3-2-11-22-19/h2-3,6-9,11H,1,4-5,10,12-15H2
InChIKeyQRQBDACFCYGYRN-UHFFFAOYSA-N
XLogP2.61
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]piperidine-2,6-dione?
The IUPAC name of 1-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]piperidine-2,6-dione (CID 154000672) is 1-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]piperidine-2,6-dione.
What is the SMILES notation for 1-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]piperidine-2,6-dione?
The canonical SMILES for 1-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]piperidine-2,6-dione is O=C1CCCC(=O)N1OCc1ccc(CN2CCc3ncccc3C2)cc1.
What is the InChIKey of 1-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]piperidine-2,6-dione?
The InChIKey is QRQBDACFCYGYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c25-20-4-1-5-21(26)24(20)27-15-17-8-6-16(7-9-17)13-23-12-10-19-18(14-23)3-2-11-22-19/h2-3,6-9,11H,1,4-5,10,12-15H2.
What are the key properties of 1-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]piperidine-2,6-dione?
1-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]piperidine-2,6-dione has a molecular weight of 365.43 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]piperidine-2,6-dione is sourced from PubChem (CID 154000672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).