3-(4-benzylpiperidine-1-carbonyl)-1-[(2-fluorophenyl)methyl]-1,8-naphthyridin-2-one

C28H26FN3O2 — CID 43996144

IUPAC3-(4-benzylpiperidine-1-carbonyl)-1-[(2-fluorophenyl)methyl]-1,8-naphthyridin-2-one
SMILESO=C(c1cc2cccnc2n(Cc2ccccc2F)c1=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C28H26FN3O2/c29-25-11-5-4-9-23(25)19-32-26-22(10-6-14-30-26)18-24(28(32)34)27(33)31-15-12-21(13-16-31)17-20-7-2-1-3-8-20/h1-11,14,18,21H,12-13,15-17,19H2
InChIKeyASIPXMJIYMXZQS-UHFFFAOYSA-N
MW455.53 g/mol
LogP4.68
Rot. Bonds5

About 3-(4-benzylpiperidine-1-carbonyl)-1-[(2-fluorophenyl)methyl]-1,8-naphthyridin-2-one

3-(4-benzylpiperidine-1-carbonyl)-1-[(2-fluorophenyl)methyl]-1,8-naphthyridin-2-one (PubChem CID 43996144) has the molecular formula C28H26FN3O2 and a molecular weight of 455.53 g/mol. Its IUPAC name is 3-(4-benzylpiperidine-1-carbonyl)-1-[(2-fluorophenyl)methyl]-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name3-(4-benzylpiperidine-1-carbonyl)-1-[(2-fluorophenyl)methyl]-1,8-naphthyridin-2-one
PubChem CID43996144
Molecular FormulaC28H26FN3O2
Molecular Weight455.53 g/mol
Exact Mass455.20
IUPAC Name3-(4-benzylpiperidine-1-carbonyl)-1-[(2-fluorophenyl)methyl]-1,8-naphthyridin-2-one
SMILESO=C(c1cc2cccnc2n(Cc2ccccc2F)c1=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C28H26FN3O2/c29-25-11-5-4-9-23(25)19-32-26-22(10-6-14-30-26)18-24(28(32)34)27(33)31-15-12-21(13-16-31)17-20-7-2-1-3-8-20/h1-11,14,18,21H,12-13,15-17,19H2
InChIKeyASIPXMJIYMXZQS-UHFFFAOYSA-N
XLogP4.68
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.53
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-fluorophenyl)methyl]-3-(morpholine-4-carbonyl)-1,8-naphthyridin-2-one
CID 7620895
1-[(2-fluorophenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)-1,8-naphthyridin-2-one
CID 7620901
N,N-dicyclohexyl-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996135
1-[(2-fluorophenyl)methyl]-2-oxo-N,N-di(propan-2-yl)-1,8-naphthyridine-3-carboxamide
CID 7620857
methyl 1-[1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]piperidine-4-carboxylate
CID 43996059
N-benzyl-1-[(2-fluorophenyl)methyl]-2-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
CID 43996136
3-(azepane-1-carbonyl)-1-[(4-fluorophenyl)methyl]-1,8-naphthyridin-2-one
CID 7620629
1-[(2-fluorophenyl)methyl]-N-[(1R,2S)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620975
1-[(2-fluorophenyl)methyl]-N-[(1R,2R)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620974
methyl 1-[1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]piperidine-4-carboxylate
CID 43996244
N-ethyl-1-[(2-fluorophenyl)methyl]-2-oxo-N-phenyl-1,8-naphthyridine-3-carboxamide
CID 43996164
1-[(2-fluorophenyl)methyl]-2-oxo-N-[(1R)-1-phenylethyl]-1,8-naphthyridine-3-carboxamide
CID 7620990

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperidine-1-carbonyl)-1-[(2-fluorophenyl)methyl]-1,8-naphthyridin-2-one?
The IUPAC name of 3-(4-benzylpiperidine-1-carbonyl)-1-[(2-fluorophenyl)methyl]-1,8-naphthyridin-2-one (CID 43996144) is 3-(4-benzylpiperidine-1-carbonyl)-1-[(2-fluorophenyl)methyl]-1,8-naphthyridin-2-one.
What is the SMILES notation for 3-(4-benzylpiperidine-1-carbonyl)-1-[(2-fluorophenyl)methyl]-1,8-naphthyridin-2-one?
The canonical SMILES for 3-(4-benzylpiperidine-1-carbonyl)-1-[(2-fluorophenyl)methyl]-1,8-naphthyridin-2-one is O=C(c1cc2cccnc2n(Cc2ccccc2F)c1=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 3-(4-benzylpiperidine-1-carbonyl)-1-[(2-fluorophenyl)methyl]-1,8-naphthyridin-2-one?
The InChIKey is ASIPXMJIYMXZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN3O2/c29-25-11-5-4-9-23(25)19-32-26-22(10-6-14-30-26)18-24(28(32)34)27(33)31-15-12-21(13-16-31)17-20-7-2-1-3-8-20/h1-11,14,18,21H,12-13,15-17,19H2.
What are the key properties of 3-(4-benzylpiperidine-1-carbonyl)-1-[(2-fluorophenyl)methyl]-1,8-naphthyridin-2-one?
3-(4-benzylpiperidine-1-carbonyl)-1-[(2-fluorophenyl)methyl]-1,8-naphthyridin-2-one has a molecular weight of 455.53 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperidine-1-carbonyl)-1-[(2-fluorophenyl)methyl]-1,8-naphthyridin-2-one is sourced from PubChem (CID 43996144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).