6-[(E)-3-oxo-3-(4-phenylpiperidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one

C22H23N3O2 — CID 71261720

IUPAC6-[(E)-3-oxo-3-(4-phenylpiperidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2cc(/C=C/C(=O)N3CCC(c4ccccc4)CC3)cnc2N1
InChIInChI=1S/C22H23N3O2/c26-20-8-7-19-14-16(15-23-22(19)24-20)6-9-21(27)25-12-10-18(11-13-25)17-4-2-1-3-5-17/h1-6,9,14-15,18H,7-8,10-13H2,(H,23,24,26)/b9-6+
InChIKeyWMXWUKJBKJQVJC-RMKNXTFCSA-N
MW361.45 g/mol
LogP3.39
Rot. Bonds3

About 6-[(E)-3-oxo-3-(4-phenylpiperidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one

6-[(E)-3-oxo-3-(4-phenylpiperidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 71261720) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 6-[(E)-3-oxo-3-(4-phenylpiperidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-[(E)-3-oxo-3-(4-phenylpiperidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID71261720
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name6-[(E)-3-oxo-3-(4-phenylpiperidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2cc(/C=C/C(=O)N3CCC(c4ccccc4)CC3)cnc2N1
InChIInChI=1S/C22H23N3O2/c26-20-8-7-19-14-16(15-23-22(19)24-20)6-9-21(27)25-12-10-18(11-13-25)17-4-2-1-3-5-17/h1-6,9,14-15,18H,7-8,10-13H2,(H,23,24,26)/b9-6+
InChIKeyWMXWUKJBKJQVJC-RMKNXTFCSA-N
XLogP3.39
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-3-oxo-3-(4-phenylpiperidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 6-[(E)-3-oxo-3-(4-phenylpiperidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 71261720) is 6-[(E)-3-oxo-3-(4-phenylpiperidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-[(E)-3-oxo-3-(4-phenylpiperidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 6-[(E)-3-oxo-3-(4-phenylpiperidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one is O=C1CCc2cc(/C=C/C(=O)N3CCC(c4ccccc4)CC3)cnc2N1.
What is the InChIKey of 6-[(E)-3-oxo-3-(4-phenylpiperidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is WMXWUKJBKJQVJC-RMKNXTFCSA-N. The full InChI is InChI=1S/C22H23N3O2/c26-20-8-7-19-14-16(15-23-22(19)24-20)6-9-21(27)25-12-10-18(11-13-25)17-4-2-1-3-5-17/h1-6,9,14-15,18H,7-8,10-13H2,(H,23,24,26)/b9-6+.
What are the key properties of 6-[(E)-3-oxo-3-(4-phenylpiperidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
6-[(E)-3-oxo-3-(4-phenylpiperidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 361.45 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-3-oxo-3-(4-phenylpiperidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 71261720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).