2-[1-(5-methoxyquinolin-2-yl)piperidin-4-yl]ethylcarbamic acid

C18H23N3O3 — CID 67135999

IUPAC2-[1-(5-methoxyquinolin-2-yl)piperidin-4-yl]ethylcarbamic acid
SMILESCOc1cccc2nc(N3CCC(CCNC(=O)O)CC3)ccc12
InChIInChI=1S/C18H23N3O3/c1-24-16-4-2-3-15-14(16)5-6-17(20-15)21-11-8-13(9-12-21)7-10-19-18(22)23/h2-6,13,19H,7-12H2,1H3,(H,22,23)
InChIKeyLCSIOKJJLLPLGZ-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.12
Rot. Bonds5

About 2-[1-(5-methoxyquinolin-2-yl)piperidin-4-yl]ethylcarbamic acid

2-[1-(5-methoxyquinolin-2-yl)piperidin-4-yl]ethylcarbamic acid (PubChem CID 67135999) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-[1-(5-methoxyquinolin-2-yl)piperidin-4-yl]ethylcarbamic acid.

Molecular Properties

Compound Name2-[1-(5-methoxyquinolin-2-yl)piperidin-4-yl]ethylcarbamic acid
PubChem CID67135999
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name2-[1-(5-methoxyquinolin-2-yl)piperidin-4-yl]ethylcarbamic acid
SMILESCOc1cccc2nc(N3CCC(CCNC(=O)O)CC3)ccc12
InChIInChI=1S/C18H23N3O3/c1-24-16-4-2-3-15-14(16)5-6-17(20-15)21-11-8-13(9-12-21)7-10-19-18(22)23/h2-6,13,19H,7-12H2,1H3,(H,22,23)
InChIKeyLCSIOKJJLLPLGZ-UHFFFAOYSA-N
XLogP3.12
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(8-chloroquinolin-2-yl)piperidin-4-yl]ethylcarbamic acid
CID 67137067
2-[1-[6-(2-methylphenyl)-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid
CID 67130483
2-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]ethylcarbamic acid
CID 67137425
2-[1-(6-methoxyisoquinolin-3-yl)piperidin-4-yl]ethylcarbamic acid
CID 67136591
2-[1-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid
CID 67134421
2-[1-[6-(4-sulfamoylphenyl)-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid
CID 89454479
2-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]ethylcarbamic acid
CID 67136738
2-[(3R)-3-(2-hydroxyethyl)pyrrolidin-1-yl]quinoline-5-carboxylic acid
CID 174844427
2-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 99970994
2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]ethylcarbamic acid
CID 22615426
2-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]ethylcarbamic acid
CID 68849804
2-[1-[4-(4-fluorophenyl)phenyl]piperidin-4-yl]ethylcarbamic acid
CID 66660711

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methoxyquinolin-2-yl)piperidin-4-yl]ethylcarbamic acid?
The IUPAC name of 2-[1-(5-methoxyquinolin-2-yl)piperidin-4-yl]ethylcarbamic acid (CID 67135999) is 2-[1-(5-methoxyquinolin-2-yl)piperidin-4-yl]ethylcarbamic acid.
What is the SMILES notation for 2-[1-(5-methoxyquinolin-2-yl)piperidin-4-yl]ethylcarbamic acid?
The canonical SMILES for 2-[1-(5-methoxyquinolin-2-yl)piperidin-4-yl]ethylcarbamic acid is COc1cccc2nc(N3CCC(CCNC(=O)O)CC3)ccc12.
What is the InChIKey of 2-[1-(5-methoxyquinolin-2-yl)piperidin-4-yl]ethylcarbamic acid?
The InChIKey is LCSIOKJJLLPLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-24-16-4-2-3-15-14(16)5-6-17(20-15)21-11-8-13(9-12-21)7-10-19-18(22)23/h2-6,13,19H,7-12H2,1H3,(H,22,23).
What are the key properties of 2-[1-(5-methoxyquinolin-2-yl)piperidin-4-yl]ethylcarbamic acid?
2-[1-(5-methoxyquinolin-2-yl)piperidin-4-yl]ethylcarbamic acid has a molecular weight of 329.40 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methoxyquinolin-2-yl)piperidin-4-yl]ethylcarbamic acid is sourced from PubChem (CID 67135999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).