3-phenyl-1-[7-(4-phenylpiperidine-1-carbonyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]propan-1-one

C29H31N3O2 — CID 134808496

IUPAC3-phenyl-1-[7-(4-phenylpiperidine-1-carbonyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]propan-1-one
SMILESO=C(c1cnc2c(c1)N(C(=O)CCc1ccccc1)CCC2)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C29H31N3O2/c33-28(14-13-22-8-3-1-4-9-22)32-17-7-12-26-27(32)20-25(21-30-26)29(34)31-18-15-24(16-19-31)23-10-5-2-6-11-23/h1-6,8-11,20-21,24H,7,12-19H2
InChIKeyHVAZUDXSXFMVII-UHFFFAOYSA-N
MW453.59 g/mol
LogP5.01
Rot. Bonds5

About 3-phenyl-1-[7-(4-phenylpiperidine-1-carbonyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]propan-1-one

3-phenyl-1-[7-(4-phenylpiperidine-1-carbonyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]propan-1-one (PubChem CID 134808496) has the molecular formula C29H31N3O2 and a molecular weight of 453.59 g/mol. Its IUPAC name is 3-phenyl-1-[7-(4-phenylpiperidine-1-carbonyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-phenyl-1-[7-(4-phenylpiperidine-1-carbonyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]propan-1-one
PubChem CID134808496
Molecular FormulaC29H31N3O2
Molecular Weight453.59 g/mol
Exact Mass453.24
IUPAC Name3-phenyl-1-[7-(4-phenylpiperidine-1-carbonyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]propan-1-one
SMILESO=C(c1cnc2c(c1)N(C(=O)CCc1ccccc1)CCC2)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C29H31N3O2/c33-28(14-13-22-8-3-1-4-9-22)32-17-7-12-26-27(32)20-25(21-30-26)29(34)31-18-15-24(16-19-31)23-10-5-2-6-11-23/h1-6,8-11,20-21,24H,7,12-19H2
InChIKeyHVAZUDXSXFMVII-UHFFFAOYSA-N
XLogP5.01
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.59
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[7-(4-phenylpiperidine-1-carbonyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]propan-1-one?
The IUPAC name of 3-phenyl-1-[7-(4-phenylpiperidine-1-carbonyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]propan-1-one (CID 134808496) is 3-phenyl-1-[7-(4-phenylpiperidine-1-carbonyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]propan-1-one.
What is the SMILES notation for 3-phenyl-1-[7-(4-phenylpiperidine-1-carbonyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]propan-1-one?
The canonical SMILES for 3-phenyl-1-[7-(4-phenylpiperidine-1-carbonyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]propan-1-one is O=C(c1cnc2c(c1)N(C(=O)CCc1ccccc1)CCC2)N1CCC(c2ccccc2)CC1.
What is the InChIKey of 3-phenyl-1-[7-(4-phenylpiperidine-1-carbonyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]propan-1-one?
The InChIKey is HVAZUDXSXFMVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O2/c33-28(14-13-22-8-3-1-4-9-22)32-17-7-12-26-27(32)20-25(21-30-26)29(34)31-18-15-24(16-19-31)23-10-5-2-6-11-23/h1-6,8-11,20-21,24H,7,12-19H2.
What are the key properties of 3-phenyl-1-[7-(4-phenylpiperidine-1-carbonyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]propan-1-one?
3-phenyl-1-[7-(4-phenylpiperidine-1-carbonyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]propan-1-one has a molecular weight of 453.59 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-[7-(4-phenylpiperidine-1-carbonyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]propan-1-one is sourced from PubChem (CID 134808496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).