2-methyl-2-piperidin-1-yl-1-quinolin-6-ylpropan-1-one

C18H22N2O — CID 81198324

IUPAC2-methyl-2-piperidin-1-yl-1-quinolin-6-ylpropan-1-one
SMILESCC(C)(C(=O)c1ccc2ncccc2c1)N1CCCCC1
InChIInChI=1S/C18H22N2O/c1-18(2,20-11-4-3-5-12-20)17(21)15-8-9-16-14(13-15)7-6-10-19-16/h6-10,13H,3-5,11-12H2,1-2H3
InChIKeyNNNBZGQDVNDESJ-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.68
Rot. Bonds3

About 2-methyl-2-piperidin-1-yl-1-quinolin-6-ylpropan-1-one

2-methyl-2-piperidin-1-yl-1-quinolin-6-ylpropan-1-one (PubChem CID 81198324) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-methyl-2-piperidin-1-yl-1-quinolin-6-ylpropan-1-one.

Molecular Properties

Compound Name2-methyl-2-piperidin-1-yl-1-quinolin-6-ylpropan-1-one
PubChem CID81198324
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-methyl-2-piperidin-1-yl-1-quinolin-6-ylpropan-1-one
SMILESCC(C)(C(=O)c1ccc2ncccc2c1)N1CCCCC1
InChIInChI=1S/C18H22N2O/c1-18(2,20-11-4-3-5-12-20)17(21)15-8-9-16-14(13-15)7-6-10-19-16/h6-10,13H,3-5,11-12H2,1-2H3
InChIKeyNNNBZGQDVNDESJ-UHFFFAOYSA-N
XLogP3.68
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-pyrrolidin-1-yl-1-quinolin-7-ylpropan-1-one
CID 81220953
ethane;quinoline-6-carboxylic acid
CID 91364452
2,2,2-trifluoro-1-quinolin-6-ylethanone
CID 66466769
2-tert-butylsulfanyl-1-quinolin-6-ylethanone
CID 81219969
2-methyl-2-pyrrolidin-1-yl-1-quinolin-8-ylpropan-1-one
CID 81220801
2-methyl-2-pyrrolidin-1-yl-1-quinolin-6-ylpropan-1-ol
CID 81219930
2-methyl-2-(quinoline-6-carbonylamino)propanoic acid
CID 62849360
5-methyl-1-(quinoline-6-carbonyl)piperidine-3-carboxylic acid
CID 122117740
ethyl 2,2-difluoro-3-oxo-3-quinolin-6-ylpropanoate
CID 63095632
2-methyl-1-[4-[4-(2-methyl-2-piperidin-1-ylpropanoyl)phenoxy]phenyl]-2-piperidin-1-ylpropan-1-one
CID 20547304
2-amino-2-methyl-1-quinolin-7-ylpropan-1-one
CID 116560118
methyl 1-(quinoline-6-carbonyl)pyrrolidine-3-carboxylate
CID 78988205

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-piperidin-1-yl-1-quinolin-6-ylpropan-1-one?
The IUPAC name of 2-methyl-2-piperidin-1-yl-1-quinolin-6-ylpropan-1-one (CID 81198324) is 2-methyl-2-piperidin-1-yl-1-quinolin-6-ylpropan-1-one.
What is the SMILES notation for 2-methyl-2-piperidin-1-yl-1-quinolin-6-ylpropan-1-one?
The canonical SMILES for 2-methyl-2-piperidin-1-yl-1-quinolin-6-ylpropan-1-one is CC(C)(C(=O)c1ccc2ncccc2c1)N1CCCCC1.
What is the InChIKey of 2-methyl-2-piperidin-1-yl-1-quinolin-6-ylpropan-1-one?
The InChIKey is NNNBZGQDVNDESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-18(2,20-11-4-3-5-12-20)17(21)15-8-9-16-14(13-15)7-6-10-19-16/h6-10,13H,3-5,11-12H2,1-2H3.
What are the key properties of 2-methyl-2-piperidin-1-yl-1-quinolin-6-ylpropan-1-one?
2-methyl-2-piperidin-1-yl-1-quinolin-6-ylpropan-1-one has a molecular weight of 282.39 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-piperidin-1-yl-1-quinolin-6-ylpropan-1-one is sourced from PubChem (CID 81198324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).