1-[(8-methoxyquinolin-5-yl)carbamoyl]piperidine-4-carboxylic acid

C17H19N3O4 — CID 122078081

IUPAC1-[(8-methoxyquinolin-5-yl)carbamoyl]piperidine-4-carboxylic acid
SMILESCOc1ccc(NC(=O)N2CCC(C(=O)O)CC2)c2cccnc12
InChIInChI=1S/C17H19N3O4/c1-24-14-5-4-13(12-3-2-8-18-15(12)14)19-17(23)20-9-6-11(7-10-20)16(21)22/h2-5,8,11H,6-7,9-10H2,1H3,(H,19,23)(H,21,22)
InChIKeyWOWFYXAOZNDNDK-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.57
Rot. Bonds3

About 1-[(8-methoxyquinolin-5-yl)carbamoyl]piperidine-4-carboxylic acid

1-[(8-methoxyquinolin-5-yl)carbamoyl]piperidine-4-carboxylic acid (PubChem CID 122078081) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 1-[(8-methoxyquinolin-5-yl)carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(8-methoxyquinolin-5-yl)carbamoyl]piperidine-4-carboxylic acid
PubChem CID122078081
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name1-[(8-methoxyquinolin-5-yl)carbamoyl]piperidine-4-carboxylic acid
SMILESCOc1ccc(NC(=O)N2CCC(C(=O)O)CC2)c2cccnc12
InChIInChI=1S/C17H19N3O4/c1-24-14-5-4-13(12-3-2-8-18-15(12)14)19-17(23)20-9-6-11(7-10-20)16(21)22/h2-5,8,11H,6-7,9-10H2,1H3,(H,19,23)(H,21,22)
InChIKeyWOWFYXAOZNDNDK-UHFFFAOYSA-N
XLogP2.57
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(8-methoxyquinolin-5-yl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 97063433
1-[(2-methoxy-4-phenoxyphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122087465
1-N-(2-methoxy-3-pyridinyl)piperidine-1,4-dicarboxamide
CID 47222931
1-[(3-methoxy-6-methyl-2-pyridinyl)carbamoyl]piperidine-4-carboxylic acid
CID 122090037
1-[[3-chloro-2-(2-methoxyethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122078161
(2S)-2-cyclopropyl-2-ethoxy-N-(8-methoxyquinolin-5-yl)propanamide
CID 100777479
(3S)-N-[8-(difluoromethoxy)quinolin-5-yl]-3-hydroxypiperidine-1-carboxamide
CID 95665624
trans-(1S,3R)-1-methoxy-N-(8-methoxyquinolin-5-yl)-3-methylcyclohexane-1-carboxamide
CID 100775557
2-ethyl-N-(8-methoxyquinolin-5-yl)butanamide
CID 26823136
N-(8-methoxyquinolin-5-yl)-3-methylbutanamide
CID 26823099
N-(5-chloroquinolin-8-yl)-4-methylpiperidine-1-carboxamide
CID 115581912
1-[2-(2-methoxy-3-pyridinyl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122014852

Frequently Asked Questions

What is the IUPAC name of 1-[(8-methoxyquinolin-5-yl)carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(8-methoxyquinolin-5-yl)carbamoyl]piperidine-4-carboxylic acid (CID 122078081) is 1-[(8-methoxyquinolin-5-yl)carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(8-methoxyquinolin-5-yl)carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(8-methoxyquinolin-5-yl)carbamoyl]piperidine-4-carboxylic acid is COc1ccc(NC(=O)N2CCC(C(=O)O)CC2)c2cccnc12.
What is the InChIKey of 1-[(8-methoxyquinolin-5-yl)carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is WOWFYXAOZNDNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-24-14-5-4-13(12-3-2-8-18-15(12)14)19-17(23)20-9-6-11(7-10-20)16(21)22/h2-5,8,11H,6-7,9-10H2,1H3,(H,19,23)(H,21,22).
What are the key properties of 1-[(8-methoxyquinolin-5-yl)carbamoyl]piperidine-4-carboxylic acid?
1-[(8-methoxyquinolin-5-yl)carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 329.36 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(8-methoxyquinolin-5-yl)carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122078081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).