methyl 1-(2,6-dimethylquinoline-3-carbonyl)piperidine-4-carboxylate

C19H22N2O3 — CID 51284162

IUPACmethyl 1-(2,6-dimethylquinoline-3-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cc3cc(C)ccc3nc2C)CC1
InChIInChI=1S/C19H22N2O3/c1-12-4-5-17-15(10-12)11-16(13(2)20-17)18(22)21-8-6-14(7-9-21)19(23)24-3/h4-5,10-11,14H,6-9H2,1-3H3
InChIKeyFEMLAIKUTHDWDH-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.88
Rot. Bonds2

About methyl 1-(2,6-dimethylquinoline-3-carbonyl)piperidine-4-carboxylate

methyl 1-(2,6-dimethylquinoline-3-carbonyl)piperidine-4-carboxylate (PubChem CID 51284162) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is methyl 1-(2,6-dimethylquinoline-3-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2,6-dimethylquinoline-3-carbonyl)piperidine-4-carboxylate
PubChem CID51284162
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Namemethyl 1-(2,6-dimethylquinoline-3-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cc3cc(C)ccc3nc2C)CC1
InChIInChI=1S/C19H22N2O3/c1-12-4-5-17-15(10-12)11-16(13(2)20-17)18(22)21-8-6-14(7-9-21)19(23)24-3/h4-5,10-11,14H,6-9H2,1-3H3
InChIKeyFEMLAIKUTHDWDH-UHFFFAOYSA-N
XLogP2.88
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(2,5-dimethylbenzoyl)piperidine-4-carboxylate
CID 43404824
(2,6-dimethylquinolin-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561139
N-(5-chloro-2-pyridinyl)-1-(2,6-dimethylquinoline-3-carbonyl)piperidine-4-carboxamide
CID 55930636
(2,6-dimethylquinolin-3-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124575490
(2,6-dimethylquinolin-3-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 55885034
N-[1-(2,6-dimethylquinoline-3-carbonyl)piperidin-4-yl]-5-methylfuran-2-carboxamide
CID 49358466
2-[4-(2,6-dimethylquinoline-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 51283891
1,4-diazepan-1-yl-(2,6-dimethylquinolin-3-yl)methanone
CID 46996879
[4-(2,6-dimethylquinoline-3-carbonyl)piperazin-1-yl]-(4-ethylphenyl)methanone
CID 32772160
methyl 1-(3-hydroxynaphthalene-2-carbonyl)piperidine-4-carboxylate
CID 17398195
2-[4-(2,6-dimethylquinoline-3-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55466264
(2S)-4-(2,6-dimethylquinoline-3-carbonyl)morpholine-2-carboxylic acid
CID 124699307

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2,6-dimethylquinoline-3-carbonyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(2,6-dimethylquinoline-3-carbonyl)piperidine-4-carboxylate (CID 51284162) is methyl 1-(2,6-dimethylquinoline-3-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(2,6-dimethylquinoline-3-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(2,6-dimethylquinoline-3-carbonyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)c2cc3cc(C)ccc3nc2C)CC1.
What is the InChIKey of methyl 1-(2,6-dimethylquinoline-3-carbonyl)piperidine-4-carboxylate?
The InChIKey is FEMLAIKUTHDWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-12-4-5-17-15(10-12)11-16(13(2)20-17)18(22)21-8-6-14(7-9-21)19(23)24-3/h4-5,10-11,14H,6-9H2,1-3H3.
What are the key properties of methyl 1-(2,6-dimethylquinoline-3-carbonyl)piperidine-4-carboxylate?
methyl 1-(2,6-dimethylquinoline-3-carbonyl)piperidine-4-carboxylate has a molecular weight of 326.40 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2,6-dimethylquinoline-3-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 51284162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).