1-(1-quinolin-4-ylpiperidin-4-yl)ethanone

C16H18N2O — CID 63845490

IUPAC1-(1-quinolin-4-ylpiperidin-4-yl)ethanone
SMILESCC(=O)C1CCN(c2ccnc3ccccc23)CC1
InChIInChI=1S/C16H18N2O/c1-12(19)13-7-10-18(11-8-13)16-6-9-17-15-5-3-2-4-14(15)16/h2-6,9,13H,7-8,10-11H2,1H3
InChIKeyIBVUWZORGONHIW-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.04
Rot. Bonds2

About 1-(1-quinolin-4-ylpiperidin-4-yl)ethanone

1-(1-quinolin-4-ylpiperidin-4-yl)ethanone (PubChem CID 63845490) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(1-quinolin-4-ylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-(1-quinolin-4-ylpiperidin-4-yl)ethanone
PubChem CID63845490
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name1-(1-quinolin-4-ylpiperidin-4-yl)ethanone
SMILESCC(=O)C1CCN(c2ccnc3ccccc23)CC1
InChIInChI=1S/C16H18N2O/c1-12(19)13-7-10-18(11-8-13)16-6-9-17-15-5-3-2-4-14(15)16/h2-6,9,13H,7-8,10-11H2,1H3
InChIKeyIBVUWZORGONHIW-UHFFFAOYSA-N
XLogP3.04
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-1-quinolin-4-ylpyrrolidine-3-carboxamide
CID 155800306
1-(1-quinolin-4-ylpiperidin-2-yl)ethanone
CID 55258345
1-quinolin-4-ylpiperidine-4-carbaldehyde
CID 62663267
(1-quinolin-4-ylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone
CID 165435539
tert-butyl N-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)carbamate
CID 172826509
pyrrolidin-1-yl-[1-(1-quinolin-4-ylpiperidin-4-yl)piperidin-3-yl]methanone
CID 56868753
N-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)cyclopropanesulfonamide
CID 163349602
2-(1-quinolin-4-ylpiperidin-4-yl)ethanesulfonic acid
CID 175185586
1-(4-methylphenyl)-3-(1-quinolin-4-ylpiperidin-4-yl)urea
CID 44525916
1-quinolin-4-ylpiperidin-4-one
CID 22000285
N,1-dimethyl-N-(1-quinolin-4-ylpiperidin-4-yl)pyrazole-4-carboxamide
CID 175650893
4-[4-(2-methylsulfanylethyl)piperidin-1-yl]quinoline
CID 157041181

Frequently Asked Questions

What is the IUPAC name of 1-(1-quinolin-4-ylpiperidin-4-yl)ethanone?
The IUPAC name of 1-(1-quinolin-4-ylpiperidin-4-yl)ethanone (CID 63845490) is 1-(1-quinolin-4-ylpiperidin-4-yl)ethanone.
What is the SMILES notation for 1-(1-quinolin-4-ylpiperidin-4-yl)ethanone?
The canonical SMILES for 1-(1-quinolin-4-ylpiperidin-4-yl)ethanone is CC(=O)C1CCN(c2ccnc3ccccc23)CC1.
What is the InChIKey of 1-(1-quinolin-4-ylpiperidin-4-yl)ethanone?
The InChIKey is IBVUWZORGONHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-12(19)13-7-10-18(11-8-13)16-6-9-17-15-5-3-2-4-14(15)16/h2-6,9,13H,7-8,10-11H2,1H3.
What are the key properties of 1-(1-quinolin-4-ylpiperidin-4-yl)ethanone?
1-(1-quinolin-4-ylpiperidin-4-yl)ethanone has a molecular weight of 254.33 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-quinolin-4-ylpiperidin-4-yl)ethanone is sourced from PubChem (CID 63845490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).