1-(3-ethoxycarbonylquinolin-4-yl)piperidine-4-carboxylic acid

C18H20N2O4 — CID 122047501

IUPAC1-(3-ethoxycarbonylquinolin-4-yl)piperidine-4-carboxylic acid
SMILESCCOC(=O)c1cnc2ccccc2c1N1CCC(C(=O)O)CC1
InChIInChI=1S/C18H20N2O4/c1-2-24-18(23)14-11-19-15-6-4-3-5-13(15)16(14)20-9-7-12(8-10-20)17(21)22/h3-6,11-12H,2,7-10H2,1H3,(H,21,22)
InChIKeyJPXDPCPVTBSGQH-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.71
Rot. Bonds4

About 1-(3-ethoxycarbonylquinolin-4-yl)piperidine-4-carboxylic acid

1-(3-ethoxycarbonylquinolin-4-yl)piperidine-4-carboxylic acid (PubChem CID 122047501) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-(3-ethoxycarbonylquinolin-4-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-ethoxycarbonylquinolin-4-yl)piperidine-4-carboxylic acid
PubChem CID122047501
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name1-(3-ethoxycarbonylquinolin-4-yl)piperidine-4-carboxylic acid
SMILESCCOC(=O)c1cnc2ccccc2c1N1CCC(C(=O)O)CC1
InChIInChI=1S/C18H20N2O4/c1-2-24-18(23)14-11-19-15-6-4-3-5-13(15)16(14)20-9-7-12(8-10-20)17(21)22/h3-6,11-12H,2,7-10H2,1H3,(H,21,22)
InChIKeyJPXDPCPVTBSGQH-UHFFFAOYSA-N
XLogP2.71
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[4-(phenylcarbamoyl)piperidin-1-yl]quinoline-3-carboxylate
CID 49428479
ethyl 4-thiomorpholin-4-ylquinoline-3-carboxylate
CID 52805665
ethyl 4-piperazin-1-ylquinoline-3-carboxylate
CID 13295826
ethyl 4-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]piperidin-1-yl]quinoline-3-carboxylate
CID 133305532
ethyl 4-(4-pyridin-4-ylpiperazin-1-yl)quinoline-3-carboxylate
CID 133277711
ethyl 4-[4-[(2-fluorobenzoyl)amino]piperidin-1-yl]quinoline-3-carboxylate
CID 133277748
ethyl 4-[(3aR,5S,6S,7aS)-5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]quinoline-3-carboxylate
CID 56861128
1-(3-ethoxycarbonyl-6,8-dimethylquinolin-4-yl)piperidine-4-carboxylic acid
CID 122047467
1-(3-ethoxycarbonyl-6-fluoro-8-methylquinolin-4-yl)piperidine-4-carboxylic acid
CID 122047475
ethyl 4-[3-[(5-methyl-2-pyridinyl)carbamoyl]piperidin-1-yl]quinoline-3-carboxylate
CID 133277758
ethyl 4-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]quinoline-3-carboxylate
CID 133334798
ethyl 4-[4-(2-methylpropyl)-3-oxopiperazin-1-yl]quinoline-3-carboxylate
CID 133498568

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxycarbonylquinolin-4-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(3-ethoxycarbonylquinolin-4-yl)piperidine-4-carboxylic acid (CID 122047501) is 1-(3-ethoxycarbonylquinolin-4-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-ethoxycarbonylquinolin-4-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-ethoxycarbonylquinolin-4-yl)piperidine-4-carboxylic acid is CCOC(=O)c1cnc2ccccc2c1N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(3-ethoxycarbonylquinolin-4-yl)piperidine-4-carboxylic acid?
The InChIKey is JPXDPCPVTBSGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-2-24-18(23)14-11-19-15-6-4-3-5-13(15)16(14)20-9-7-12(8-10-20)17(21)22/h3-6,11-12H,2,7-10H2,1H3,(H,21,22).
What are the key properties of 1-(3-ethoxycarbonylquinolin-4-yl)piperidine-4-carboxylic acid?
1-(3-ethoxycarbonylquinolin-4-yl)piperidine-4-carboxylic acid has a molecular weight of 328.37 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxycarbonylquinolin-4-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 122047501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).