1-piperidin-1-yl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)ethanone

C16H22N2O2 — CID 90640712

IUPAC1-piperidin-1-yl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)ethanone
SMILESO=C(COc1ccnc2c1CCCC2)N1CCCCC1
InChIInChI=1S/C16H22N2O2/c19-16(18-10-4-1-5-11-18)12-20-15-8-9-17-14-7-3-2-6-13(14)15/h8-9H,1-7,10-12H2
InChIKeyPCPIMPMGRMRCCX-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.35
Rot. Bonds3

About 1-piperidin-1-yl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)ethanone

1-piperidin-1-yl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)ethanone (PubChem CID 90640712) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)ethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)ethanone
PubChem CID90640712
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-piperidin-1-yl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)ethanone
SMILESO=C(COc1ccnc2c1CCCC2)N1CCCCC1
InChIInChI=1S/C16H22N2O2/c19-16(18-10-4-1-5-11-18)12-20-15-8-9-17-14-7-3-2-6-13(14)15/h8-9H,1-7,10-12H2
InChIKeyPCPIMPMGRMRCCX-UHFFFAOYSA-N
XLogP2.35
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(dimethylamino)piperidin-1-yl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)ethanone
CID 90641078
1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)ethanone
CID 90640723
1-(2-ethylpiperidin-1-yl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)ethanone
CID 90640716
2-(5,6,7,8-tetrahydroquinolin-4-yloxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 90640951
3-(2-oxo-2-piperidin-1-ylethoxy)pyridine-2-carboxylic acid
CID 61380056
4-methyl-3-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid
CID 45320509
methyl 4-[[2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetyl]amino]benzoate
CID 90640857
2-[[2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetyl]amino]benzamide
CID 90640860
2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylethanone
CID 63090854
2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylethanone
CID 63090647
N-[2-(diethylamino)ethyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
CID 90640769
[2-(azepan-1-yl)-2-oxoethyl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate
CID 2700776

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)ethanone?
The IUPAC name of 1-piperidin-1-yl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)ethanone (CID 90640712) is 1-piperidin-1-yl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)ethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)ethanone?
The canonical SMILES for 1-piperidin-1-yl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)ethanone is O=C(COc1ccnc2c1CCCC2)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)ethanone?
The InChIKey is PCPIMPMGRMRCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-16(18-10-4-1-5-11-18)12-20-15-8-9-17-14-7-3-2-6-13(14)15/h8-9H,1-7,10-12H2.
What are the key properties of 1-piperidin-1-yl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)ethanone?
1-piperidin-1-yl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)ethanone has a molecular weight of 274.36 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)ethanone is sourced from PubChem (CID 90640712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).