3-piperidin-3-yl-1-quinolin-4-ylpropan-1-one;hydrochloride

C17H21ClN2O — CID 24843603

IUPAC3-piperidin-3-yl-1-quinolin-4-ylpropan-1-one;hydrochloride
SMILESCl.O=C(CCC1CCCNC1)c1ccnc2ccccc12
InChIInChI=1S/C17H20N2O.ClH/c20-17(8-7-13-4-3-10-18-12-13)15-9-11-19-16-6-2-1-5-14(15)16;/h1-2,5-6,9,11,13,18H,3-4,7-8,10,12H2;1H
InChIKeyNOYMDILEDJOEGV-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.62
Rot. Bonds4

About 3-piperidin-3-yl-1-quinolin-4-ylpropan-1-one;hydrochloride

3-piperidin-3-yl-1-quinolin-4-ylpropan-1-one;hydrochloride (PubChem CID 24843603) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 3-piperidin-3-yl-1-quinolin-4-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name3-piperidin-3-yl-1-quinolin-4-ylpropan-1-one;hydrochloride
PubChem CID24843603
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name3-piperidin-3-yl-1-quinolin-4-ylpropan-1-one;hydrochloride
SMILESCl.O=C(CCC1CCCNC1)c1ccnc2ccccc12
InChIInChI=1S/C17H20N2O.ClH/c20-17(8-7-13-4-3-10-18-12-13)15-9-11-19-16-6-2-1-5-14(15)16;/h1-2,5-6,9,11,13,18H,3-4,7-8,10,12H2;1H
InChIKeyNOYMDILEDJOEGV-UHFFFAOYSA-N
XLogP3.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3R,4R)-3-ethenylpiperidin-4-yl]-1-quinolin-4-ylpropan-1-one
CID 3053309
N-(2-pyrrolidin-3-ylethyl)quinoline-4-carboxamide
CID 81478211
bis((2R,3R)-2,3-dihydroxybutanedioic acid);3-[(3R,4R)-3-ethenylpiperidin-4-yl]-1-quinolin-4-ylpropan-1-one
CID 3053308
5-(piperidin-3-ylmethyl)quinoline
CID 73439136
N-pyrrolidin-3-ylquinoline-4-carboxamide
CID 81478788
piperidin-3-yl(quinolin-5-yl)methanone
CID 116548060
1-(2-phenylquinolin-4-yl)-2-piperidin-3-ylethanone
CID 12799874
N-(2-piperidin-3-ylethyl)-2-pyridin-3-ylquinoline-4-carboxamide;dihydrochloride
CID 119557872
4-piperidin-3-yl-1-quinolin-2-ylbutan-2-one
CID 116562408
2-(3-piperidin-3-ylpropoxy)-1-pyridin-2-ylethanone;hydrochloride
CID 71645321
4-(piperidin-3-ylmethyl)quinazoline
CID 105484818
3-cyclopentyl-1-quinoxalin-5-ylpropan-1-one
CID 114192891

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-1-quinolin-4-ylpropan-1-one;hydrochloride?
The IUPAC name of 3-piperidin-3-yl-1-quinolin-4-ylpropan-1-one;hydrochloride (CID 24843603) is 3-piperidin-3-yl-1-quinolin-4-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 3-piperidin-3-yl-1-quinolin-4-ylpropan-1-one;hydrochloride?
The canonical SMILES for 3-piperidin-3-yl-1-quinolin-4-ylpropan-1-one;hydrochloride is Cl.O=C(CCC1CCCNC1)c1ccnc2ccccc12.
What is the InChIKey of 3-piperidin-3-yl-1-quinolin-4-ylpropan-1-one;hydrochloride?
The InChIKey is NOYMDILEDJOEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O.ClH/c20-17(8-7-13-4-3-10-18-12-13)15-9-11-19-16-6-2-1-5-14(15)16;/h1-2,5-6,9,11,13,18H,3-4,7-8,10,12H2;1H.
What are the key properties of 3-piperidin-3-yl-1-quinolin-4-ylpropan-1-one;hydrochloride?
3-piperidin-3-yl-1-quinolin-4-ylpropan-1-one;hydrochloride has a molecular weight of 304.82 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-yl-1-quinolin-4-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 24843603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).