(3R)-3-(methoxymethyl)-1-(2-methylquinoline-8-carbonyl)piperidine-3-carboxylic acid

C19H22N2O4 — CID 129468538

IUPAC(3R)-3-(methoxymethyl)-1-(2-methylquinoline-8-carbonyl)piperidine-3-carboxylic acid
SMILESCOC[C@@]1(C(=O)O)CCCN(C(=O)c2cccc3ccc(C)nc23)C1
InChIInChI=1S/C19H22N2O4/c1-13-7-8-14-5-3-6-15(16(14)20-13)17(22)21-10-4-9-19(11-21,12-25-2)18(23)24/h3,5-8H,4,9-12H2,1-2H3,(H,23,24)/t19-/m1/s1
InChIKeyOOVNEGYZAMFEDT-LJQANCHMSA-N
MW342.40 g/mol
LogP2.50
Rot. Bonds4

About (3R)-3-(methoxymethyl)-1-(2-methylquinoline-8-carbonyl)piperidine-3-carboxylic acid

(3R)-3-(methoxymethyl)-1-(2-methylquinoline-8-carbonyl)piperidine-3-carboxylic acid (PubChem CID 129468538) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is (3R)-3-(methoxymethyl)-1-(2-methylquinoline-8-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-(methoxymethyl)-1-(2-methylquinoline-8-carbonyl)piperidine-3-carboxylic acid
PubChem CID129468538
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name(3R)-3-(methoxymethyl)-1-(2-methylquinoline-8-carbonyl)piperidine-3-carboxylic acid
SMILESCOC[C@@]1(C(=O)O)CCCN(C(=O)c2cccc3ccc(C)nc23)C1
InChIInChI=1S/C19H22N2O4/c1-13-7-8-14-5-3-6-15(16(14)20-13)17(22)21-10-4-9-19(11-21,12-25-2)18(23)24/h3,5-8H,4,9-12H2,1-2H3,(H,23,24)/t19-/m1/s1
InChIKeyOOVNEGYZAMFEDT-LJQANCHMSA-N
XLogP2.50
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(2,3-dihydro-1H-indene-4-carbonyl)-3-(methoxymethyl)pyrrolidine-3-carboxylic acid
CID 129469474
(3S)-3-(methoxymethyl)-1-(2-phenyltriazole-4-carbonyl)piperidine-3-carboxylic acid
CID 129468547
1-(2-cyanobenzoyl)-3-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 72895498
[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methylquinolin-8-yl)methanone
CID 129486246
3-(methoxymethyl)-1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid
CID 122109059
3-(2-methoxyethyl)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid
CID 72865109
(3S)-1-(2-amino-4-methylpyrimidine-5-carbonyl)-3-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 97117341
2-[4-(2-methylquinoline-8-carbonyl)morpholin-2-yl]acetic acid
CID 120527700
1-(2-methoxybenzoyl)-3-[(2-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 56918920
1-cyclopropyl-2-[4-(2-methylquinoline-8-carbonyl)piperazin-1-yl]ethanone
CID 71929967
1-(2-bromobenzoyl)-3-propylpiperidine-3-carboxylic acid
CID 63134142
[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2-methylquinolin-8-yl)methanone
CID 124699260

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(methoxymethyl)-1-(2-methylquinoline-8-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-3-(methoxymethyl)-1-(2-methylquinoline-8-carbonyl)piperidine-3-carboxylic acid (CID 129468538) is (3R)-3-(methoxymethyl)-1-(2-methylquinoline-8-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-3-(methoxymethyl)-1-(2-methylquinoline-8-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-3-(methoxymethyl)-1-(2-methylquinoline-8-carbonyl)piperidine-3-carboxylic acid is COC[C@@]1(C(=O)O)CCCN(C(=O)c2cccc3ccc(C)nc23)C1.
What is the InChIKey of (3R)-3-(methoxymethyl)-1-(2-methylquinoline-8-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is OOVNEGYZAMFEDT-LJQANCHMSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-13-7-8-14-5-3-6-15(16(14)20-13)17(22)21-10-4-9-19(11-21,12-25-2)18(23)24/h3,5-8H,4,9-12H2,1-2H3,(H,23,24)/t19-/m1/s1.
What are the key properties of (3R)-3-(methoxymethyl)-1-(2-methylquinoline-8-carbonyl)piperidine-3-carboxylic acid?
(3R)-3-(methoxymethyl)-1-(2-methylquinoline-8-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 342.40 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(methoxymethyl)-1-(2-methylquinoline-8-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 129468538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).