(3R)-4-[3-(6-methoxyquinolin-4-yl)-3-oxopropyl]piperidine-3-carboxylic acid

C19H22N2O4 — CID 70178018

IUPAC(3R)-4-[3-(6-methoxyquinolin-4-yl)-3-oxopropyl]piperidine-3-carboxylic acid
SMILESCOc1ccc2nccc(C(=O)CCC3CCNC[C@@H]3C(=O)O)c2c1
InChIInChI=1S/C19H22N2O4/c1-25-13-3-4-17-15(10-13)14(7-9-21-17)18(22)5-2-12-6-8-20-11-16(12)19(23)24/h3-4,7,9-10,12,16,20H,2,5-6,8,11H2,1H3,(H,23,24)/t12?,16-/m0/s1
InChIKeyWPDGIPAEKHUFAY-INSVYWFGSA-N
MW342.39 g/mol
LogP2.52
Rot. Bonds6

About (3R)-4-[3-(6-methoxyquinolin-4-yl)-3-oxopropyl]piperidine-3-carboxylic acid

(3R)-4-[3-(6-methoxyquinolin-4-yl)-3-oxopropyl]piperidine-3-carboxylic acid (PubChem CID 70178018) has the molecular formula C19H22N2O4 and a molecular weight of 342.39 g/mol. Its IUPAC name is (3R)-4-[3-(6-methoxyquinolin-4-yl)-3-oxopropyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-4-[3-(6-methoxyquinolin-4-yl)-3-oxopropyl]piperidine-3-carboxylic acid
PubChem CID70178018
Molecular FormulaC19H22N2O4
Molecular Weight342.39 g/mol
Exact Mass342.16
IUPAC Name(3R)-4-[3-(6-methoxyquinolin-4-yl)-3-oxopropyl]piperidine-3-carboxylic acid
SMILESCOc1ccc2nccc(C(=O)CCC3CCNC[C@@H]3C(=O)O)c2c1
InChIInChI=1S/C19H22N2O4/c1-25-13-3-4-17-15(10-13)14(7-9-21-17)18(22)5-2-12-6-8-20-11-16(12)19(23)24/h3-4,7,9-10,12,16,20H,2,5-6,8,11H2,1H3,(H,23,24)/t12?,16-/m0/s1
InChIKeyWPDGIPAEKHUFAY-INSVYWFGSA-N
XLogP2.52
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-ethenylpiperidin-4-yl)-1-(6-methoxyquinolin-4-yl)propan-1-one
CID 3831557
3-[(3S,4R)-3-ethenylpiperidin-4-yl]-1-(6-methoxyquinolin-4-yl)propan-1-one;hydrochloride
CID 22813412
1-(2-cyclopropylsulfanylethyl)-4-[3-(6-methoxyquinolin-4-yl)-3-oxopropyl]piperidine-3-carboxylic acid
CID 21113313
1-(2-cyclobutylsulfanylethyl)-4-[3-(6-methoxyquinolin-4-yl)-3-oxopropyl]piperidine-3-carboxylic acid
CID 21113307
3-(2-ethenylcyclohexyl)-1-(6-methoxyquinolin-4-yl)propan-1-one
CID 58890043
4-[(3R)-3-(3-fluoro-6-methoxyquinolin-4-yl)-3-hydroxypropyl]piperidine-3-carboxylic acid
CID 69362150
(3R,4R)-4-[3-(6-methoxyquinolin-4-yl)-3-oxopropyl]-1-[3-(2,3,5-trifluorophenyl)prop-2-ynyl]piperidine-3-carboxylic acid
CID 11466357
(3S,4S)-1-[2-(5-fluorothiophen-2-yl)sulfanylethyl]-4-[3-(6-methoxyquinolin-4-yl)-3-oxopropyl]piperidine-3-carboxylic acid
CID 69345675
2-[(3R,4R)-4-[3-(6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]acetic acid
CID 21347710
3-phenylpropyl (3R,4R)-4-[(3R)-3-chloro-3-(6-methoxyquinolin-4-yl)propyl]piperidine-3-carboxylate
CID 70101697
1-[(3R,4S)-3-ethylpiperidin-4-yl]-3-(6-methoxyquinolin-4-yl)propan-2-one
CID 70514644
methyl (3R,4R)-4-[3-(6-methoxyquinolin-4-yl)-3-oxopropyl]-1-(2-thiophen-2-ylsulfanylethyl)piperidine-3-carboxylate
CID 53238403

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[3-(6-methoxyquinolin-4-yl)-3-oxopropyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-4-[3-(6-methoxyquinolin-4-yl)-3-oxopropyl]piperidine-3-carboxylic acid (CID 70178018) is (3R)-4-[3-(6-methoxyquinolin-4-yl)-3-oxopropyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-4-[3-(6-methoxyquinolin-4-yl)-3-oxopropyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-4-[3-(6-methoxyquinolin-4-yl)-3-oxopropyl]piperidine-3-carboxylic acid is COc1ccc2nccc(C(=O)CCC3CCNC[C@@H]3C(=O)O)c2c1.
What is the InChIKey of (3R)-4-[3-(6-methoxyquinolin-4-yl)-3-oxopropyl]piperidine-3-carboxylic acid?
The InChIKey is WPDGIPAEKHUFAY-INSVYWFGSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-25-13-3-4-17-15(10-13)14(7-9-21-17)18(22)5-2-12-6-8-20-11-16(12)19(23)24/h3-4,7,9-10,12,16,20H,2,5-6,8,11H2,1H3,(H,23,24)/t12?,16-/m0/s1.
What are the key properties of (3R)-4-[3-(6-methoxyquinolin-4-yl)-3-oxopropyl]piperidine-3-carboxylic acid?
(3R)-4-[3-(6-methoxyquinolin-4-yl)-3-oxopropyl]piperidine-3-carboxylic acid has a molecular weight of 342.39 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[3-(6-methoxyquinolin-4-yl)-3-oxopropyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 70178018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).