1-[(1S)-1-(3-fluorophenyl)propyl]-3-[3-(1,8-naphthyridin-2-yl)propyl]piperidin-2-one

C25H28FN3O — CID 59951839

IUPAC1-[(1S)-1-(3-fluorophenyl)propyl]-3-[3-(1,8-naphthyridin-2-yl)propyl]piperidin-2-one
SMILESCC[C@@H](c1cccc(F)c1)N1CCCC(CCCc2ccc3cccnc3n2)C1=O
InChIInChI=1S/C25H28FN3O/c1-2-23(20-8-3-11-21(26)17-20)29-16-6-10-19(25(29)30)7-4-12-22-14-13-18-9-5-15-27-24(18)28-22/h3,5,8-9,11,13-15,17,19,23H,2,4,6-7,10,12,16H2,1H3/t19?,23-/m0/s1
InChIKeyIUIGUBWRDKPIAH-BVHINDKJSA-N
MW405.52 g/mol
LogP5.48
Rot. Bonds7

About 1-[(1S)-1-(3-fluorophenyl)propyl]-3-[3-(1,8-naphthyridin-2-yl)propyl]piperidin-2-one

1-[(1S)-1-(3-fluorophenyl)propyl]-3-[3-(1,8-naphthyridin-2-yl)propyl]piperidin-2-one (PubChem CID 59951839) has the molecular formula C25H28FN3O and a molecular weight of 405.52 g/mol. Its IUPAC name is 1-[(1S)-1-(3-fluorophenyl)propyl]-3-[3-(1,8-naphthyridin-2-yl)propyl]piperidin-2-one.

Molecular Properties

Compound Name1-[(1S)-1-(3-fluorophenyl)propyl]-3-[3-(1,8-naphthyridin-2-yl)propyl]piperidin-2-one
PubChem CID59951839
Molecular FormulaC25H28FN3O
Molecular Weight405.52 g/mol
Exact Mass405.22
IUPAC Name1-[(1S)-1-(3-fluorophenyl)propyl]-3-[3-(1,8-naphthyridin-2-yl)propyl]piperidin-2-one
SMILESCC[C@@H](c1cccc(F)c1)N1CCCC(CCCc2ccc3cccnc3n2)C1=O
InChIInChI=1S/C25H28FN3O/c1-2-23(20-8-3-11-21(26)17-20)29-16-6-10-19(25(29)30)7-4-12-22-14-13-18-9-5-15-27-24(18)28-22/h3,5,8-9,11,13-15,17,19,23H,2,4,6-7,10,12,16H2,1H3/t19?,23-/m0/s1
InChIKeyIUIGUBWRDKPIAH-BVHINDKJSA-N
XLogP5.48
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.52
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(1S)-1-(3-fluorophenyl)propyl]-3-[3-(1,8-naphthyridin-2-yl)propyl]piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(3-fluorophenyl)propyl]-3-[3-(1,8-naphthyridin-2-yl)propyl]piperidin-2-one?
The IUPAC name of 1-[(1S)-1-(3-fluorophenyl)propyl]-3-[3-(1,8-naphthyridin-2-yl)propyl]piperidin-2-one (CID 59951839) is 1-[(1S)-1-(3-fluorophenyl)propyl]-3-[3-(1,8-naphthyridin-2-yl)propyl]piperidin-2-one.
What is the SMILES notation for 1-[(1S)-1-(3-fluorophenyl)propyl]-3-[3-(1,8-naphthyridin-2-yl)propyl]piperidin-2-one?
The canonical SMILES for 1-[(1S)-1-(3-fluorophenyl)propyl]-3-[3-(1,8-naphthyridin-2-yl)propyl]piperidin-2-one is CC[C@@H](c1cccc(F)c1)N1CCCC(CCCc2ccc3cccnc3n2)C1=O.
What is the InChIKey of 1-[(1S)-1-(3-fluorophenyl)propyl]-3-[3-(1,8-naphthyridin-2-yl)propyl]piperidin-2-one?
The InChIKey is IUIGUBWRDKPIAH-BVHINDKJSA-N. The full InChI is InChI=1S/C25H28FN3O/c1-2-23(20-8-3-11-21(26)17-20)29-16-6-10-19(25(29)30)7-4-12-22-14-13-18-9-5-15-27-24(18)28-22/h3,5,8-9,11,13-15,17,19,23H,2,4,6-7,10,12,16H2,1H3/t19?,23-/m0/s1.
What are the key properties of 1-[(1S)-1-(3-fluorophenyl)propyl]-3-[3-(1,8-naphthyridin-2-yl)propyl]piperidin-2-one?
1-[(1S)-1-(3-fluorophenyl)propyl]-3-[3-(1,8-naphthyridin-2-yl)propyl]piperidin-2-one has a molecular weight of 405.52 g/mol, XLogP of 5.48, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(3-fluorophenyl)propyl]-3-[3-(1,8-naphthyridin-2-yl)propyl]piperidin-2-one is sourced from PubChem (CID 59951839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).