6-[(E)-3-(4-benzylpiperidin-1-yl)-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one

C23H25N3O2 — CID 71261725

IUPAC6-[(E)-3-(4-benzylpiperidin-1-yl)-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2cc(/C=C/C(=O)N3CCC(Cc4ccccc4)CC3)cnc2N1
InChIInChI=1S/C23H25N3O2/c27-21-8-7-20-15-19(16-24-23(20)25-21)6-9-22(28)26-12-10-18(11-13-26)14-17-4-2-1-3-5-17/h1-6,9,15-16,18H,7-8,10-14H2,(H,24,25,27)/b9-6+
InChIKeyOYLBJIBXALCYBE-RMKNXTFCSA-N
MW375.47 g/mol
LogP3.46
Rot. Bonds4

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

6-[(E)-3-(4-benzylpiperidin-1-yl)-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 71261725) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 6-[(E)-3-(4-benzylpiperidin-1-yl)-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-[(E)-3-(4-benzylpiperidin-1-yl)-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID71261725
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name6-[(E)-3-(4-benzylpiperidin-1-yl)-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2cc(/C=C/C(=O)N3CCC(Cc4ccccc4)CC3)cnc2N1
InChIInChI=1S/C23H25N3O2/c27-21-8-7-20-15-19(16-24-23(20)25-21)6-9-22(28)26-12-10-18(11-13-26)14-17-4-2-1-3-5-17/h1-6,9,15-16,18H,7-8,10-14H2,(H,24,25,27)/b9-6+
InChIKeyOYLBJIBXALCYBE-RMKNXTFCSA-N
XLogP3.46
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.46
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-(4-benzylpiperidin-1-yl)-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 6-[(E)-3-(4-benzylpiperidin-1-yl)-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 71261725) is 6-[(E)-3-(4-benzylpiperidin-1-yl)-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-[(E)-3-(4-benzylpiperidin-1-yl)-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 6-[(E)-3-(4-benzylpiperidin-1-yl)-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one is O=C1CCc2cc(/C=C/C(=O)N3CCC(Cc4ccccc4)CC3)cnc2N1.
What is the InChIKey of 6-[(E)-3-(4-benzylpiperidin-1-yl)-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is OYLBJIBXALCYBE-RMKNXTFCSA-N. The full InChI is InChI=1S/C23H25N3O2/c27-21-8-7-20-15-19(16-24-23(20)25-21)6-9-22(28)26-12-10-18(11-13-26)14-17-4-2-1-3-5-17/h1-6,9,15-16,18H,7-8,10-14H2,(H,24,25,27)/b9-6+.
What are the key properties of 6-[(E)-3-(4-benzylpiperidin-1-yl)-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
6-[(E)-3-(4-benzylpiperidin-1-yl)-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 375.47 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-3-(4-benzylpiperidin-1-yl)-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 71261725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).