2-[1-[2-(1-methoxypiperidin-4-yl)acetyl]-3,4-dihydro-2H-quinolin-4-yl]acetic acid

C19H26N2O4 — CID 146102867

IUPAC2-[1-[2-(1-methoxypiperidin-4-yl)acetyl]-3,4-dihydro-2H-quinolin-4-yl]acetic acid
SMILESCON1CCC(CC(=O)N2CCC(CC(=O)O)c3ccccc32)CC1
InChIInChI=1S/C19H26N2O4/c1-25-20-9-6-14(7-10-20)12-18(22)21-11-8-15(13-19(23)24)16-4-2-3-5-17(16)21/h2-5,14-15H,6-13H2,1H3,(H,23,24)
InChIKeyWYDJZGQLXMNMDR-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.65
Rot. Bonds5

About 2-[1-[2-(1-methoxypiperidin-4-yl)acetyl]-3,4-dihydro-2H-quinolin-4-yl]acetic acid

2-[1-[2-(1-methoxypiperidin-4-yl)acetyl]-3,4-dihydro-2H-quinolin-4-yl]acetic acid (PubChem CID 146102867) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-[1-[2-(1-methoxypiperidin-4-yl)acetyl]-3,4-dihydro-2H-quinolin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(1-methoxypiperidin-4-yl)acetyl]-3,4-dihydro-2H-quinolin-4-yl]acetic acid
PubChem CID146102867
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name2-[1-[2-(1-methoxypiperidin-4-yl)acetyl]-3,4-dihydro-2H-quinolin-4-yl]acetic acid
SMILESCON1CCC(CC(=O)N2CCC(CC(=O)O)c3ccccc32)CC1
InChIInChI=1S/C19H26N2O4/c1-25-20-9-6-14(7-10-20)12-18(22)21-11-8-15(13-19(23)24)16-4-2-3-5-17(16)21/h2-5,14-15H,6-13H2,1H3,(H,23,24)
InChIKeyWYDJZGQLXMNMDR-UHFFFAOYSA-N
XLogP2.65
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(1-methoxypiperidin-4-yl)acetyl]-3,4-dihydro-2H-quinolin-4-yl]acetic acid?
The IUPAC name of 2-[1-[2-(1-methoxypiperidin-4-yl)acetyl]-3,4-dihydro-2H-quinolin-4-yl]acetic acid (CID 146102867) is 2-[1-[2-(1-methoxypiperidin-4-yl)acetyl]-3,4-dihydro-2H-quinolin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(1-methoxypiperidin-4-yl)acetyl]-3,4-dihydro-2H-quinolin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(1-methoxypiperidin-4-yl)acetyl]-3,4-dihydro-2H-quinolin-4-yl]acetic acid is CON1CCC(CC(=O)N2CCC(CC(=O)O)c3ccccc32)CC1.
What is the InChIKey of 2-[1-[2-(1-methoxypiperidin-4-yl)acetyl]-3,4-dihydro-2H-quinolin-4-yl]acetic acid?
The InChIKey is WYDJZGQLXMNMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-25-20-9-6-14(7-10-20)12-18(22)21-11-8-15(13-19(23)24)16-4-2-3-5-17(16)21/h2-5,14-15H,6-13H2,1H3,(H,23,24).
What are the key properties of 2-[1-[2-(1-methoxypiperidin-4-yl)acetyl]-3,4-dihydro-2H-quinolin-4-yl]acetic acid?
2-[1-[2-(1-methoxypiperidin-4-yl)acetyl]-3,4-dihydro-2H-quinolin-4-yl]acetic acid has a molecular weight of 346.43 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(1-methoxypiperidin-4-yl)acetyl]-3,4-dihydro-2H-quinolin-4-yl]acetic acid is sourced from PubChem (CID 146102867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).