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

C19H25N3O2 — CID 52950440

IUPAC6-[(E)-3-oxo-3-(4-propylpiperidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCCCC1CCN(C(=O)/C=C/c2cnc3c(c2)CCC(=O)N3)CC1
InChIInChI=1S/C19H25N3O2/c1-2-3-14-8-10-22(11-9-14)18(24)7-4-15-12-16-5-6-17(23)21-19(16)20-13-15/h4,7,12-14H,2-3,5-6,8-11H2,1H3,(H,20,21,23)/b7-4+
InChIKeySNXFJGDLNWCNJI-QPJJXVBHSA-N
MW327.43 g/mol
LogP3.02
Rot. Bonds4

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

6-[(E)-3-oxo-3-(4-propylpiperidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 52950440) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 6-[(E)-3-oxo-3-(4-propylpiperidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-[(E)-3-oxo-3-(4-propylpiperidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID52950440
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name6-[(E)-3-oxo-3-(4-propylpiperidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCCCC1CCN(C(=O)/C=C/c2cnc3c(c2)CCC(=O)N3)CC1
InChIInChI=1S/C19H25N3O2/c1-2-3-14-8-10-22(11-9-14)18(24)7-4-15-12-16-5-6-17(23)21-19(16)20-13-15/h4,7,12-14H,2-3,5-6,8-11H2,1H3,(H,20,21,23)/b7-4+
InChIKeySNXFJGDLNWCNJI-QPJJXVBHSA-N
XLogP3.02
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.02
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-propylpiperidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 6-[(E)-3-oxo-3-(4-propylpiperidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 52950440) is 6-[(E)-3-oxo-3-(4-propylpiperidin-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-propylpiperidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 6-[(E)-3-oxo-3-(4-propylpiperidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one is CCCC1CCN(C(=O)/C=C/c2cnc3c(c2)CCC(=O)N3)CC1.
What is the InChIKey of 6-[(E)-3-oxo-3-(4-propylpiperidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is SNXFJGDLNWCNJI-QPJJXVBHSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-2-3-14-8-10-22(11-9-14)18(24)7-4-15-12-16-5-6-17(23)21-19(16)20-13-15/h4,7,12-14H,2-3,5-6,8-11H2,1H3,(H,20,21,23)/b7-4+.
What are the key properties of 6-[(E)-3-oxo-3-(4-propylpiperidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
6-[(E)-3-oxo-3-(4-propylpiperidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 327.43 g/mol, XLogP of 3.02, 4 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-propylpiperidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 52950440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).