piperidin-1-yl-(2,2,4-trimethyl-1H-quinolin-8-yl)methanone

C18H24N2O — CID 17036229

IUPACpiperidin-1-yl-(2,2,4-trimethyl-1H-quinolin-8-yl)methanone
SMILESCC1=CC(C)(C)Nc2c(C(=O)N3CCCCC3)cccc21
InChIInChI=1S/C18H24N2O/c1-13-12-18(2,3)19-16-14(13)8-7-9-15(16)17(21)20-10-5-4-6-11-20/h7-9,12,19H,4-6,10-11H2,1-3H3
InChIKeyHMKXMJGRRPQWQD-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.92
Rot. Bonds1

About piperidin-1-yl-(2,2,4-trimethyl-1H-quinolin-8-yl)methanone

piperidin-1-yl-(2,2,4-trimethyl-1H-quinolin-8-yl)methanone (PubChem CID 17036229) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is piperidin-1-yl-(2,2,4-trimethyl-1H-quinolin-8-yl)methanone.

Molecular Properties

Compound Namepiperidin-1-yl-(2,2,4-trimethyl-1H-quinolin-8-yl)methanone
PubChem CID17036229
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Namepiperidin-1-yl-(2,2,4-trimethyl-1H-quinolin-8-yl)methanone
SMILESCC1=CC(C)(C)Nc2c(C(=O)N3CCCCC3)cccc21
InChIInChI=1S/C18H24N2O/c1-13-12-18(2,3)19-16-14(13)8-7-9-15(16)17(21)20-10-5-4-6-11-20/h7-9,12,19H,4-6,10-11H2,1-3H3
InChIKeyHMKXMJGRRPQWQD-UHFFFAOYSA-N
XLogP3.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-(2,2,4-trimethyl-1H-quinolin-8-yl)methanone
CID 17036233
8-chloro-2,2,4-trimethyl-1H-quinoline
CID 57023724
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576
[2-(piperidine-1-carbonyl)phenyl]boronic acid
CID 90477220
azepan-1-yl-(2-bromo-3-methylphenyl)methanone
CID 103852629
(3-chloro-2-methylphenyl)-pyrrolidin-1-ylmethanone;ethane
CID 170773608
8-(azepane-1-carbonyl)naphthalene-1-carboxylic acid
CID 16776667
3-bromo-2-methylbenzoic acid;(3-bromo-2-methylphenyl)-pyrrolidin-1-ylmethanone;cyclopentane
CID 160501593
8-(pyrrolidine-1-carbonyl)naphthalene-1-carboxylic acid
CID 16773543
azepan-1-yl(1H-indol-4-yl)methanone
CID 43582350
[2-(4-fluorophenyl)phenyl]-pyrrolidin-1-ylmethanone
CID 134955966
azepan-1-yl-(4-methoxy-2,3-dimethylphenyl)methanone
CID 110763192

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-(2,2,4-trimethyl-1H-quinolin-8-yl)methanone?
The IUPAC name of piperidin-1-yl-(2,2,4-trimethyl-1H-quinolin-8-yl)methanone (CID 17036229) is piperidin-1-yl-(2,2,4-trimethyl-1H-quinolin-8-yl)methanone.
What is the SMILES notation for piperidin-1-yl-(2,2,4-trimethyl-1H-quinolin-8-yl)methanone?
The canonical SMILES for piperidin-1-yl-(2,2,4-trimethyl-1H-quinolin-8-yl)methanone is CC1=CC(C)(C)Nc2c(C(=O)N3CCCCC3)cccc21.
What is the InChIKey of piperidin-1-yl-(2,2,4-trimethyl-1H-quinolin-8-yl)methanone?
The InChIKey is HMKXMJGRRPQWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-13-12-18(2,3)19-16-14(13)8-7-9-15(16)17(21)20-10-5-4-6-11-20/h7-9,12,19H,4-6,10-11H2,1-3H3.
What are the key properties of piperidin-1-yl-(2,2,4-trimethyl-1H-quinolin-8-yl)methanone?
piperidin-1-yl-(2,2,4-trimethyl-1H-quinolin-8-yl)methanone has a molecular weight of 284.40 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-(2,2,4-trimethyl-1H-quinolin-8-yl)methanone is sourced from PubChem (CID 17036229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).