1-benzyl-3-[(2R)-2-ethylpiperidine-1-carbonyl]-1,8-naphthyridin-2-one

C23H25N3O2 — CID 7620050

IUPAC1-benzyl-3-[(2R)-2-ethylpiperidine-1-carbonyl]-1,8-naphthyridin-2-one
SMILESCC[C@@H]1CCCCN1C(=O)c1cc2cccnc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C23H25N3O2/c1-2-19-12-6-7-14-25(19)22(27)20-15-18-11-8-13-24-21(18)26(23(20)28)16-17-9-4-3-5-10-17/h3-5,8-11,13,15,19H,2,6-7,12,14,16H2,1H3/t19-/m1/s1
InChIKeyFQSBBNUXOABMNN-LJQANCHMSA-N
MW375.47 g/mol
LogP3.85
Rot. Bonds4

About 1-benzyl-3-[(2R)-2-ethylpiperidine-1-carbonyl]-1,8-naphthyridin-2-one

1-benzyl-3-[(2R)-2-ethylpiperidine-1-carbonyl]-1,8-naphthyridin-2-one (PubChem CID 7620050) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-benzyl-3-[(2R)-2-ethylpiperidine-1-carbonyl]-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1-benzyl-3-[(2R)-2-ethylpiperidine-1-carbonyl]-1,8-naphthyridin-2-one
PubChem CID7620050
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name1-benzyl-3-[(2R)-2-ethylpiperidine-1-carbonyl]-1,8-naphthyridin-2-one
SMILESCC[C@@H]1CCCCN1C(=O)c1cc2cccnc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C23H25N3O2/c1-2-19-12-6-7-14-25(19)22(27)20-15-18-11-8-13-24-21(18)26(23(20)28)16-17-9-4-3-5-10-17/h3-5,8-11,13,15,19H,2,6-7,12,14,16H2,1H3/t19-/m1/s1
InChIKeyFQSBBNUXOABMNN-LJQANCHMSA-N
XLogP3.85
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2S)-2-ethylpiperidine-1-carbonyl]-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one
CID 7620373
3-[(2R)-2-ethylpiperidine-1-carbonyl]-1-[(4-fluorophenyl)methyl]-1,8-naphthyridin-2-one
CID 7620640
3-[(2S)-2-ethylpiperidine-1-carbonyl]-1-methyl-1,8-naphthyridin-2-one
CID 7619297
3-(azepane-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one
CID 7620362
methyl 1-[1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]piperidine-4-carboxylate
CID 7620374
methyl 1-[1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]piperidine-4-carboxylate
CID 43996244
1-benzyl-N,N-diethyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620018
methyl 1-[1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]piperidine-4-carboxylate
CID 43996059
3-benzyl-4-(2-ethylpiperidine-1-carbonyl)-1H-imidazol-2-one
CID 84576543
1-benzyl-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-1,8-naphthyridin-2-one
CID 7620216
3-(azepane-1-carbonyl)-1-[(4-fluorophenyl)methyl]-1,8-naphthyridin-2-one
CID 7620629
1-benzyl-2-oxo-N-propyl-1,8-naphthyridine-3-carboxamide
CID 7620085

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(2R)-2-ethylpiperidine-1-carbonyl]-1,8-naphthyridin-2-one?
The IUPAC name of 1-benzyl-3-[(2R)-2-ethylpiperidine-1-carbonyl]-1,8-naphthyridin-2-one (CID 7620050) is 1-benzyl-3-[(2R)-2-ethylpiperidine-1-carbonyl]-1,8-naphthyridin-2-one.
What is the SMILES notation for 1-benzyl-3-[(2R)-2-ethylpiperidine-1-carbonyl]-1,8-naphthyridin-2-one?
The canonical SMILES for 1-benzyl-3-[(2R)-2-ethylpiperidine-1-carbonyl]-1,8-naphthyridin-2-one is CC[C@@H]1CCCCN1C(=O)c1cc2cccnc2n(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-3-[(2R)-2-ethylpiperidine-1-carbonyl]-1,8-naphthyridin-2-one?
The InChIKey is FQSBBNUXOABMNN-LJQANCHMSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-2-19-12-6-7-14-25(19)22(27)20-15-18-11-8-13-24-21(18)26(23(20)28)16-17-9-4-3-5-10-17/h3-5,8-11,13,15,19H,2,6-7,12,14,16H2,1H3/t19-/m1/s1.
What are the key properties of 1-benzyl-3-[(2R)-2-ethylpiperidine-1-carbonyl]-1,8-naphthyridin-2-one?
1-benzyl-3-[(2R)-2-ethylpiperidine-1-carbonyl]-1,8-naphthyridin-2-one has a molecular weight of 375.47 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(2R)-2-ethylpiperidine-1-carbonyl]-1,8-naphthyridin-2-one is sourced from PubChem (CID 7620050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).