3-[(2S)-2-ethylpiperidine-1-carbonyl]-1-methyl-1,8-naphthyridin-2-one

C17H21N3O2 — CID 7619297

IUPAC3-[(2S)-2-ethylpiperidine-1-carbonyl]-1-methyl-1,8-naphthyridin-2-one
SMILESCC[C@H]1CCCCN1C(=O)c1cc2cccnc2n(C)c1=O
InChIInChI=1S/C17H21N3O2/c1-3-13-8-4-5-10-20(13)17(22)14-11-12-7-6-9-18-15(12)19(2)16(14)21/h6-7,9,11,13H,3-5,8,10H2,1-2H3/t13-/m0/s1
InChIKeyACMHXTBZQPQEIE-ZDUSSCGKSA-N
MW299.37 g/mol
LogP2.34
Rot. Bonds2

About 3-[(2S)-2-ethylpiperidine-1-carbonyl]-1-methyl-1,8-naphthyridin-2-one

3-[(2S)-2-ethylpiperidine-1-carbonyl]-1-methyl-1,8-naphthyridin-2-one (PubChem CID 7619297) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-[(2S)-2-ethylpiperidine-1-carbonyl]-1-methyl-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name3-[(2S)-2-ethylpiperidine-1-carbonyl]-1-methyl-1,8-naphthyridin-2-one
PubChem CID7619297
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name3-[(2S)-2-ethylpiperidine-1-carbonyl]-1-methyl-1,8-naphthyridin-2-one
SMILESCC[C@H]1CCCCN1C(=O)c1cc2cccnc2n(C)c1=O
InChIInChI=1S/C17H21N3O2/c1-3-13-8-4-5-10-20(13)17(22)14-11-12-7-6-9-18-15(12)19(2)16(14)21/h6-7,9,11,13H,3-5,8,10H2,1-2H3/t13-/m0/s1
InChIKeyACMHXTBZQPQEIE-ZDUSSCGKSA-N
XLogP2.34
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-[(2R)-2-ethylpiperidine-1-carbonyl]-1,8-naphthyridin-2-one
CID 7620050
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
(2-bromo-3-pyridinyl)-(2-ethylazepan-1-yl)methanone
CID 103755522
(2-ethylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone
CID 43403986
(2-ethylazepan-1-yl)-(2-hydroxyphenyl)methanone
CID 112692526
2-(1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)cyclohexane-1,3-dione
CID 123276386
3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-methyl-1,8-naphthyridin-2-one
CID 7619317
(2-ethylpiperidin-1-yl)-(8-sulfanylquinolin-5-yl)methanone
CID 157384035
[6-[(2S)-2-ethylpiperidine-1-carbonyl]-2-pyridinyl]-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 40585097
(2-ethylpiperidin-1-yl)-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone
CID 107521415
1-methyl-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-1,8-naphthyridin-2-one
CID 7619470

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-ethylpiperidine-1-carbonyl]-1-methyl-1,8-naphthyridin-2-one?
The IUPAC name of 3-[(2S)-2-ethylpiperidine-1-carbonyl]-1-methyl-1,8-naphthyridin-2-one (CID 7619297) is 3-[(2S)-2-ethylpiperidine-1-carbonyl]-1-methyl-1,8-naphthyridin-2-one.
What is the SMILES notation for 3-[(2S)-2-ethylpiperidine-1-carbonyl]-1-methyl-1,8-naphthyridin-2-one?
The canonical SMILES for 3-[(2S)-2-ethylpiperidine-1-carbonyl]-1-methyl-1,8-naphthyridin-2-one is CC[C@H]1CCCCN1C(=O)c1cc2cccnc2n(C)c1=O.
What is the InChIKey of 3-[(2S)-2-ethylpiperidine-1-carbonyl]-1-methyl-1,8-naphthyridin-2-one?
The InChIKey is ACMHXTBZQPQEIE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-3-13-8-4-5-10-20(13)17(22)14-11-12-7-6-9-18-15(12)19(2)16(14)21/h6-7,9,11,13H,3-5,8,10H2,1-2H3/t13-/m0/s1.
What are the key properties of 3-[(2S)-2-ethylpiperidine-1-carbonyl]-1-methyl-1,8-naphthyridin-2-one?
3-[(2S)-2-ethylpiperidine-1-carbonyl]-1-methyl-1,8-naphthyridin-2-one has a molecular weight of 299.37 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-ethylpiperidine-1-carbonyl]-1-methyl-1,8-naphthyridin-2-one is sourced from PubChem (CID 7619297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).