6-[(2R)-piperidine-2-carbonyl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one

C14H23N3O2 — CID 104914426

IUPAC6-[(2R)-piperidine-2-carbonyl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
SMILESO=C1CCC2CN(C(=O)[C@H]3CCCCN3)CCC2N1
InChIInChI=1S/C14H23N3O2/c18-13-5-4-10-9-17(8-6-11(10)16-13)14(19)12-3-1-2-7-15-12/h10-12,15H,1-9H2,(H,16,18)/t10?,11?,12-/m1/s1
InChIKeyGYYXETUWMFHFKT-HTAVTVPLSA-N
MW265.36 g/mol
LogP0.26
Rot. Bonds1

About 6-[(2R)-piperidine-2-carbonyl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one

6-[(2R)-piperidine-2-carbonyl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one (PubChem CID 104914426) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 6-[(2R)-piperidine-2-carbonyl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name6-[(2R)-piperidine-2-carbonyl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
PubChem CID104914426
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name6-[(2R)-piperidine-2-carbonyl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
SMILESO=C1CCC2CN(C(=O)[C@H]3CCCCN3)CCC2N1
InChIInChI=1S/C14H23N3O2/c18-13-5-4-10-9-17(8-6-11(10)16-13)14(19)12-3-1-2-7-15-12/h10-12,15H,1-9H2,(H,16,18)/t10?,11?,12-/m1/s1
InChIKeyGYYXETUWMFHFKT-HTAVTVPLSA-N
XLogP0.26
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[(2R)-piperidine-2-carbonyl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one with MolForge

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Related Compounds

6-(thiomorpholine-3-carbonyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
CID 82916460
3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl(piperidin-2-yl)methanone
CID 121202091
6-(5-oxopyrrolidine-3-carbonyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
CID 83193225
1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl(piperidin-2-yl)methanone
CID 119326244
(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)-piperidin-2-ylmethanone
CID 121202218
5-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)pyrrolidin-2-one;hydrochloride
CID 119999589
1-(azepane-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 64568956
6-(2-sulfanylpropanoyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
CID 107033206
2-[(2S)-piperidine-2-carbonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 104914557
[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 129393876
[3-(dimethylamino)pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone
CID 104913920
azepan-1-yl(azepan-2-yl)methanone
CID 64562203

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-piperidine-2-carbonyl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one?
The IUPAC name of 6-[(2R)-piperidine-2-carbonyl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one (CID 104914426) is 6-[(2R)-piperidine-2-carbonyl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one.
What is the SMILES notation for 6-[(2R)-piperidine-2-carbonyl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one?
The canonical SMILES for 6-[(2R)-piperidine-2-carbonyl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one is O=C1CCC2CN(C(=O)[C@H]3CCCCN3)CCC2N1.
What is the InChIKey of 6-[(2R)-piperidine-2-carbonyl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one?
The InChIKey is GYYXETUWMFHFKT-HTAVTVPLSA-N. The full InChI is InChI=1S/C14H23N3O2/c18-13-5-4-10-9-17(8-6-11(10)16-13)14(19)12-3-1-2-7-15-12/h10-12,15H,1-9H2,(H,16,18)/t10?,11?,12-/m1/s1.
What are the key properties of 6-[(2R)-piperidine-2-carbonyl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one?
6-[(2R)-piperidine-2-carbonyl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one has a molecular weight of 265.36 g/mol, XLogP of 0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-piperidine-2-carbonyl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one is sourced from PubChem (CID 104914426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).