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

C18H27N3O2 — CID 90641078

IUPAC1-[4-(dimethylamino)piperidin-1-yl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)ethanone
SMILESCN(C)C1CCN(C(=O)COc2ccnc3c2CCCC3)CC1
InChIInChI=1S/C18H27N3O2/c1-20(2)14-8-11-21(12-9-14)18(22)13-23-17-7-10-19-16-6-4-3-5-15(16)17/h7,10,14H,3-6,8-9,11-13H2,1-2H3
InChIKeyYJJQALJPBMTTFQ-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.89
Rot. Bonds4

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

1-[4-(dimethylamino)piperidin-1-yl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)ethanone (PubChem CID 90641078) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-[4-(dimethylamino)piperidin-1-yl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)ethanone.

Molecular Properties

Compound Name1-[4-(dimethylamino)piperidin-1-yl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)ethanone
PubChem CID90641078
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name1-[4-(dimethylamino)piperidin-1-yl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)ethanone
SMILESCN(C)C1CCN(C(=O)COc2ccnc3c2CCCC3)CC1
InChIInChI=1S/C18H27N3O2/c1-20(2)14-8-11-21(12-9-14)18(22)13-23-17-7-10-19-16-6-4-3-5-15(16)17/h7,10,14H,3-6,8-9,11-13H2,1-2H3
InChIKeyYJJQALJPBMTTFQ-UHFFFAOYSA-N
XLogP1.89
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(dimethylamino)piperidin-1-yl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)ethanone with MolForge

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Related Compounds

1-piperidin-1-yl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)ethanone
CID 90640712
1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)ethanone
CID 90640723
2-(5,6,7,8-tetrahydroquinolin-4-yloxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 90640951
2-[4-(aminomethyl)phenoxy]-1-[4-(dimethylamino)piperidin-1-yl]ethanone
CID 43585625
N-[2-(diethylamino)ethyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
CID 90640769
1-[4-[4-(dimethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
CID 60579640
1-[4-(dimethylamino)piperidin-1-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 110483853
2-[[2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetyl]amino]benzamide
CID 90640860
1-[4-(dimethylamino)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110866811
2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylethanone
CID 63090647
2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylethanone
CID 63090854
1-(3-hydroxypiperidin-1-yl)-2-quinolin-4-yloxyethanone
CID 141217878

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)piperidin-1-yl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)ethanone?
The IUPAC name of 1-[4-(dimethylamino)piperidin-1-yl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)ethanone (CID 90641078) is 1-[4-(dimethylamino)piperidin-1-yl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)ethanone.
What is the SMILES notation for 1-[4-(dimethylamino)piperidin-1-yl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)ethanone?
The canonical SMILES for 1-[4-(dimethylamino)piperidin-1-yl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)ethanone is CN(C)C1CCN(C(=O)COc2ccnc3c2CCCC3)CC1.
What is the InChIKey of 1-[4-(dimethylamino)piperidin-1-yl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)ethanone?
The InChIKey is YJJQALJPBMTTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-20(2)14-8-11-21(12-9-14)18(22)13-23-17-7-10-19-16-6-4-3-5-15(16)17/h7,10,14H,3-6,8-9,11-13H2,1-2H3.
What are the key properties of 1-[4-(dimethylamino)piperidin-1-yl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)ethanone?
1-[4-(dimethylamino)piperidin-1-yl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)ethanone has a molecular weight of 317.43 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)piperidin-1-yl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)ethanone is sourced from PubChem (CID 90641078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).