1-[(3S)-3-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)piperidin-1-yl]-2-methoxyethanone

C17H23N3O3 — CID 97193702

IUPAC1-[(3S)-3-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC[C@H](C(=O)N2CCc3ncccc3C2)C1
InChIInChI=1S/C17H23N3O3/c1-23-12-16(21)19-8-3-5-14(11-19)17(22)20-9-6-15-13(10-20)4-2-7-18-15/h2,4,7,14H,3,5-6,8-12H2,1H3/t14-/m0/s1
InChIKeyPOQGBQWDONGVBW-AWEZNQCLSA-N
MW317.39 g/mol
LogP0.85
Rot. Bonds3

About 1-[(3S)-3-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)piperidin-1-yl]-2-methoxyethanone

1-[(3S)-3-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)piperidin-1-yl]-2-methoxyethanone (PubChem CID 97193702) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-[(3S)-3-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)piperidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[(3S)-3-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)piperidin-1-yl]-2-methoxyethanone
PubChem CID97193702
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name1-[(3S)-3-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC[C@H](C(=O)N2CCc3ncccc3C2)C1
InChIInChI=1S/C17H23N3O3/c1-23-12-16(21)19-8-3-5-14(11-19)17(22)20-9-6-15-13(10-20)4-2-7-18-15/h2,4,7,14H,3,5-6,8-12H2,1H3/t14-/m0/s1
InChIKeyPOQGBQWDONGVBW-AWEZNQCLSA-N
XLogP0.85
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(3S)-3-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)piperidin-1-yl]-2-methoxyethanone with MolForge

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Related Compounds

1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-methoxyethanone
CID 64592092
1-[(3S,6R)-3-amino-6-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)azepan-1-yl]ethanone;dihydrochloride
CID 166600126
5-[(3R)-1-(2-methoxyacetyl)piperidine-3-carbonyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 97270670
2-methoxy-1-[(3S)-3-(3-phenylmethoxyazetidine-1-carbonyl)piperidin-1-yl]ethanone
CID 97208983
2-methoxy-1-[(3R)-3-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]piperidin-1-yl]ethanone
CID 97149104
7,8-dihydro-5H-1,6-naphthyridin-6-yl(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
CID 155503871
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one
CID 64591824
cyclopentyl(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone
CID 121184511
1-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 55605700
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-piperidin-4-yloxyethanone
CID 63877593
2-methoxy-1-[3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 72930668
1-[(3S)-3-[3-(2-fluorophenoxy)azetidine-1-carbonyl]piperidin-1-yl]-2-methoxyethanone
CID 97187034

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)piperidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[(3S)-3-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)piperidin-1-yl]-2-methoxyethanone (CID 97193702) is 1-[(3S)-3-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)piperidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[(3S)-3-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)piperidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[(3S)-3-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)piperidin-1-yl]-2-methoxyethanone is COCC(=O)N1CCC[C@H](C(=O)N2CCc3ncccc3C2)C1.
What is the InChIKey of 1-[(3S)-3-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)piperidin-1-yl]-2-methoxyethanone?
The InChIKey is POQGBQWDONGVBW-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-23-12-16(21)19-8-3-5-14(11-19)17(22)20-9-6-15-13(10-20)4-2-7-18-15/h2,4,7,14H,3,5-6,8-12H2,1H3/t14-/m0/s1.
What are the key properties of 1-[(3S)-3-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)piperidin-1-yl]-2-methoxyethanone?
1-[(3S)-3-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)piperidin-1-yl]-2-methoxyethanone has a molecular weight of 317.39 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)piperidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 97193702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).