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

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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).