3-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-quinolin-4-one

C18H22N2O3 — CID 95588730

IUPAC3-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-quinolin-4-one
SMILESCCCO[C@@H]1CCCN(C(=O)c2c[nH]c3ccccc3c2=O)C1
InChIInChI=1S/C18H22N2O3/c1-2-10-23-13-6-5-9-20(12-13)18(22)15-11-19-16-8-4-3-7-14(16)17(15)21/h3-4,7-8,11,13H,2,5-6,9-10,12H2,1H3,(H,19,21)/t13-/m1/s1
InChIKeyWWFPUAGTCNZWSE-CYBMUJFWSA-N
MW314.38 g/mol
LogP2.56
Rot. Bonds4

About 3-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-quinolin-4-one

3-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-quinolin-4-one (PubChem CID 95588730) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 3-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name3-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-quinolin-4-one
PubChem CID95588730
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name3-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-quinolin-4-one
SMILESCCCO[C@@H]1CCCN(C(=O)c2c[nH]c3ccccc3c2=O)C1
InChIInChI=1S/C18H22N2O3/c1-2-10-23-13-6-5-9-20(12-13)18(22)15-11-19-16-8-4-3-7-14(16)17(15)21/h3-4,7-8,11,13H,2,5-6,9-10,12H2,1H3,(H,19,21)/t13-/m1/s1
InChIKeyWWFPUAGTCNZWSE-CYBMUJFWSA-N
XLogP2.56
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-indol-3-yl-(3-propoxypiperidin-1-yl)methanone
CID 61171911
1H-indazol-3-yl-(3-propoxypiperidin-1-yl)methanone
CID 56820766
5-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-pyrazin-2-one
CID 99983565
[2-(difluoromethoxy)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone
CID 95179553
(2-amino-4-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 61170144
3-[2-(hydroxymethyl)morpholine-4-carbonyl]-1H-quinolin-4-one
CID 81197737
2-(phenoxymethyl)-5-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 97120908
4-(3-propoxypiperidine-1-carbonyl)benzenecarbothioamide
CID 47827117
(2-fluoro-5-methylphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 62512361
(6-chloro-2-pyridinyl)-(3-propoxypiperidin-1-yl)methanone
CID 62233136
(2-amino-5-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 107074802
(2-methyl-5-sulfanylphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 107026150

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-quinolin-4-one?
The IUPAC name of 3-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-quinolin-4-one (CID 95588730) is 3-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-quinolin-4-one.
What is the SMILES notation for 3-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-quinolin-4-one?
The canonical SMILES for 3-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-quinolin-4-one is CCCO[C@@H]1CCCN(C(=O)c2c[nH]c3ccccc3c2=O)C1.
What is the InChIKey of 3-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-quinolin-4-one?
The InChIKey is WWFPUAGTCNZWSE-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-2-10-23-13-6-5-9-20(12-13)18(22)15-11-19-16-8-4-3-7-14(16)17(15)21/h3-4,7-8,11,13H,2,5-6,9-10,12H2,1H3,(H,19,21)/t13-/m1/s1.
What are the key properties of 3-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-quinolin-4-one?
3-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-quinolin-4-one has a molecular weight of 314.38 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-quinolin-4-one is sourced from PubChem (CID 95588730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).