1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(5-chloroquinolin-8-yl)oxyethanone

C18H22ClN3O2 — CID 120818102

IUPAC1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(5-chloroquinolin-8-yl)oxyethanone
SMILESCC1(C)CN(C(=O)COc2ccc(Cl)c3cccnc23)CCC1N
InChIInChI=1S/C18H22ClN3O2/c1-18(2)11-22(9-7-15(18)20)16(23)10-24-14-6-5-13(19)12-4-3-8-21-17(12)14/h3-6,8,15H,7,9-11,20H2,1-2H3
InChIKeyJFGQWJGKEKIPBQ-UHFFFAOYSA-N
MW347.85 g/mol
LogP2.85
Rot. Bonds3

About 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(5-chloroquinolin-8-yl)oxyethanone

1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(5-chloroquinolin-8-yl)oxyethanone (PubChem CID 120818102) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(5-chloroquinolin-8-yl)oxyethanone.

Molecular Properties

Compound Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(5-chloroquinolin-8-yl)oxyethanone
PubChem CID120818102
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(5-chloroquinolin-8-yl)oxyethanone
SMILESCC1(C)CN(C(=O)COc2ccc(Cl)c3cccnc23)CCC1N
InChIInChI=1S/C18H22ClN3O2/c1-18(2)11-22(9-7-15(18)20)16(23)10-24-14-6-5-13(19)12-4-3-8-21-17(12)14/h3-6,8,15H,7,9-11,20H2,1-2H3
InChIKeyJFGQWJGKEKIPBQ-UHFFFAOYSA-N
XLogP2.85
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-chloroquinolin-8-yl)oxyethanone
CID 119409930
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloroquinolin-8-yl)methanone
CID 120818978
1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-(5-chloroquinolin-8-yl)oxyethanone
CID 124611264
2-(5-chloroquinolin-8-yl)oxy-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone
CID 119622234
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-naphthalen-1-yloxyethanone;hydrochloride
CID 120815312
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-pyridin-3-yloxyethanone
CID 120818044
2-(5-chloroquinolin-8-yl)oxy-1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]ethanone
CID 55843773
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-phenylmethoxyphenoxy)ethanone;hydrochloride
CID 120817423
methyl 2-(5-chloroquinolin-8-yl)oxyacetate
CID 15257198
(4-amino-3,3-dimethylpiperidin-1-yl)-[2-(2,4-dichlorophenoxy)-3-pyridinyl]methanone;dihydrochloride
CID 120818027
(4R)-5-[2-(5-chloroquinolin-8-yl)oxyacetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 8012971
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3-fluorophenoxy)ethanone
CID 120817079

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(5-chloroquinolin-8-yl)oxyethanone?
The IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(5-chloroquinolin-8-yl)oxyethanone (CID 120818102) is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(5-chloroquinolin-8-yl)oxyethanone.
What is the SMILES notation for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(5-chloroquinolin-8-yl)oxyethanone?
The canonical SMILES for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(5-chloroquinolin-8-yl)oxyethanone is CC1(C)CN(C(=O)COc2ccc(Cl)c3cccnc23)CCC1N.
What is the InChIKey of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(5-chloroquinolin-8-yl)oxyethanone?
The InChIKey is JFGQWJGKEKIPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c1-18(2)11-22(9-7-15(18)20)16(23)10-24-14-6-5-13(19)12-4-3-8-21-17(12)14/h3-6,8,15H,7,9-11,20H2,1-2H3.
What are the key properties of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(5-chloroquinolin-8-yl)oxyethanone?
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(5-chloroquinolin-8-yl)oxyethanone has a molecular weight of 347.85 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(5-chloroquinolin-8-yl)oxyethanone is sourced from PubChem (CID 120818102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).