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

C22H23N3O3 — CID 52950486

IUPAC6-[(E)-3-(4-hydroxy-4-phenylpiperidin-1-yl)-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2cc(/C=C/C(=O)N3CCC(O)(c4ccccc4)CC3)cnc2N1
InChIInChI=1S/C22H23N3O3/c26-19-8-7-17-14-16(15-23-21(17)24-19)6-9-20(27)25-12-10-22(28,11-13-25)18-4-2-1-3-5-18/h1-6,9,14-15,28H,7-8,10-13H2,(H,23,24,26)/b9-6+
InChIKeyFPEKLOOAKYGFFC-RMKNXTFCSA-N
MW377.44 g/mol
LogP2.49
Rot. Bonds3

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

6-[(E)-3-(4-hydroxy-4-phenylpiperidin-1-yl)-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 52950486) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 6-[(E)-3-(4-hydroxy-4-phenylpiperidin-1-yl)-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-[(E)-3-(4-hydroxy-4-phenylpiperidin-1-yl)-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID52950486
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name6-[(E)-3-(4-hydroxy-4-phenylpiperidin-1-yl)-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2cc(/C=C/C(=O)N3CCC(O)(c4ccccc4)CC3)cnc2N1
InChIInChI=1S/C22H23N3O3/c26-19-8-7-17-14-16(15-23-21(17)24-19)6-9-20(27)25-12-10-22(28,11-13-25)18-4-2-1-3-5-18/h1-6,9,14-15,28H,7-8,10-13H2,(H,23,24,26)/b9-6+
InChIKeyFPEKLOOAKYGFFC-RMKNXTFCSA-N
XLogP2.49
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-hydroxy-4-phenylpiperidin-1-yl)-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 6-[(E)-3-(4-hydroxy-4-phenylpiperidin-1-yl)-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 52950486) is 6-[(E)-3-(4-hydroxy-4-phenylpiperidin-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-hydroxy-4-phenylpiperidin-1-yl)-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 6-[(E)-3-(4-hydroxy-4-phenylpiperidin-1-yl)-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one is O=C1CCc2cc(/C=C/C(=O)N3CCC(O)(c4ccccc4)CC3)cnc2N1.
What is the InChIKey of 6-[(E)-3-(4-hydroxy-4-phenylpiperidin-1-yl)-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is FPEKLOOAKYGFFC-RMKNXTFCSA-N. The full InChI is InChI=1S/C22H23N3O3/c26-19-8-7-17-14-16(15-23-21(17)24-19)6-9-20(27)25-12-10-22(28,11-13-25)18-4-2-1-3-5-18/h1-6,9,14-15,28H,7-8,10-13H2,(H,23,24,26)/b9-6+.
What are the key properties of 6-[(E)-3-(4-hydroxy-4-phenylpiperidin-1-yl)-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
6-[(E)-3-(4-hydroxy-4-phenylpiperidin-1-yl)-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 377.44 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-3-(4-hydroxy-4-phenylpiperidin-1-yl)-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 52950486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).