piperidin-4-yl-(8-propan-2-yloxyquinolin-5-yl)methanone

C18H22N2O2 — CID 96708630

IUPACpiperidin-4-yl-(8-propan-2-yloxyquinolin-5-yl)methanone
SMILESCC(C)Oc1ccc(C(=O)C2CCNCC2)c2cccnc12
InChIInChI=1S/C18H22N2O2/c1-12(2)22-16-6-5-15(14-4-3-9-20-17(14)16)18(21)13-7-10-19-11-8-13/h3-6,9,12-13,19H,7-8,10-11H2,1-2H3
InChIKeyVKYFRNNBRBQAPH-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.20
Rot. Bonds4

About piperidin-4-yl-(8-propan-2-yloxyquinolin-5-yl)methanone

piperidin-4-yl-(8-propan-2-yloxyquinolin-5-yl)methanone (PubChem CID 96708630) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is piperidin-4-yl-(8-propan-2-yloxyquinolin-5-yl)methanone.

Molecular Properties

Compound Namepiperidin-4-yl-(8-propan-2-yloxyquinolin-5-yl)methanone
PubChem CID96708630
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Namepiperidin-4-yl-(8-propan-2-yloxyquinolin-5-yl)methanone
SMILESCC(C)Oc1ccc(C(=O)C2CCNCC2)c2cccnc12
InChIInChI=1S/C18H22N2O2/c1-12(2)22-16-6-5-15(14-4-3-9-20-17(14)16)18(21)13-7-10-19-11-8-13/h3-6,9,12-13,19H,7-8,10-11H2,1-2H3
InChIKeyVKYFRNNBRBQAPH-UHFFFAOYSA-N
XLogP3.20
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze piperidin-4-yl-(8-propan-2-yloxyquinolin-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(8-butoxyquinolin-5-yl)-piperidin-4-ylmethanone
CID 96709887
6-[8-(difluoromethoxy)quinoline-5-carbonyl]-2,2,4,4-tetramethylcyclohexane-1,3,5-trione
CID 22179179
8-propan-2-yloxyquinoline-5-sulfonyl chloride
CID 43115660
piperidin-3-yl-(2-propan-2-yloxyphenyl)methanone
CID 116547957
methyl 3-(8-methoxyquinolin-5-yl)-2-methyl-3-oxopropanoate
CID 59335917
N-(3-methyl-4-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 98034216
(2R)-2-cyclopropyl-N-(8-propan-2-yloxyquinolin-5-yl)-2-propoxypropanamide
CID 100778843
(2-methoxyphenyl)-piperidin-4-ylmethanone
CID 20613843
(3-propan-2-yloxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568364
propan-2-yl 5-methoxyquinoline-8-carboxylate
CID 67977903
piperidin-3-yl(quinolin-5-yl)methanone
CID 116548060
N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119284707

Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl-(8-propan-2-yloxyquinolin-5-yl)methanone?
The IUPAC name of piperidin-4-yl-(8-propan-2-yloxyquinolin-5-yl)methanone (CID 96708630) is piperidin-4-yl-(8-propan-2-yloxyquinolin-5-yl)methanone.
What is the SMILES notation for piperidin-4-yl-(8-propan-2-yloxyquinolin-5-yl)methanone?
The canonical SMILES for piperidin-4-yl-(8-propan-2-yloxyquinolin-5-yl)methanone is CC(C)Oc1ccc(C(=O)C2CCNCC2)c2cccnc12.
What is the InChIKey of piperidin-4-yl-(8-propan-2-yloxyquinolin-5-yl)methanone?
The InChIKey is VKYFRNNBRBQAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-12(2)22-16-6-5-15(14-4-3-9-20-17(14)16)18(21)13-7-10-19-11-8-13/h3-6,9,12-13,19H,7-8,10-11H2,1-2H3.
What are the key properties of piperidin-4-yl-(8-propan-2-yloxyquinolin-5-yl)methanone?
piperidin-4-yl-(8-propan-2-yloxyquinolin-5-yl)methanone has a molecular weight of 298.39 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl-(8-propan-2-yloxyquinolin-5-yl)methanone is sourced from PubChem (CID 96708630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).