N-methyl-2-[1-(8-propoxyquinolin-4-yl)piperidin-4-yl]acetamide

C20H27N3O2 — CID 99842332

IUPACN-methyl-2-[1-(8-propoxyquinolin-4-yl)piperidin-4-yl]acetamide
SMILESCCCOc1cccc2c(N3CCC(CC(=O)NC)CC3)ccnc12
InChIInChI=1S/C20H27N3O2/c1-3-13-25-18-6-4-5-16-17(7-10-22-20(16)18)23-11-8-15(9-12-23)14-19(24)21-2/h4-7,10,15H,3,8-9,11-14H2,1-2H3,(H,21,24)
InChIKeyOAWRUBSHUFHSEZ-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.38
Rot. Bonds6

About N-methyl-2-[1-(8-propoxyquinolin-4-yl)piperidin-4-yl]acetamide

N-methyl-2-[1-(8-propoxyquinolin-4-yl)piperidin-4-yl]acetamide (PubChem CID 99842332) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-methyl-2-[1-(8-propoxyquinolin-4-yl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[1-(8-propoxyquinolin-4-yl)piperidin-4-yl]acetamide
PubChem CID99842332
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC NameN-methyl-2-[1-(8-propoxyquinolin-4-yl)piperidin-4-yl]acetamide
SMILESCCCOc1cccc2c(N3CCC(CC(=O)NC)CC3)ccnc12
InChIInChI=1S/C20H27N3O2/c1-3-13-25-18-6-4-5-16-17(7-10-22-20(16)18)23-11-8-15(9-12-23)14-19(24)21-2/h4-7,10,15H,3,8-9,11-14H2,1-2H3,(H,21,24)
InChIKeyOAWRUBSHUFHSEZ-UHFFFAOYSA-N
XLogP3.38
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-(8-propoxyquinolin-4-yl)piperidin-4-yl]acetamide?
The IUPAC name of N-methyl-2-[1-(8-propoxyquinolin-4-yl)piperidin-4-yl]acetamide (CID 99842332) is N-methyl-2-[1-(8-propoxyquinolin-4-yl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-methyl-2-[1-(8-propoxyquinolin-4-yl)piperidin-4-yl]acetamide?
The canonical SMILES for N-methyl-2-[1-(8-propoxyquinolin-4-yl)piperidin-4-yl]acetamide is CCCOc1cccc2c(N3CCC(CC(=O)NC)CC3)ccnc12.
What is the InChIKey of N-methyl-2-[1-(8-propoxyquinolin-4-yl)piperidin-4-yl]acetamide?
The InChIKey is OAWRUBSHUFHSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-3-13-25-18-6-4-5-16-17(7-10-22-20(16)18)23-11-8-15(9-12-23)14-19(24)21-2/h4-7,10,15H,3,8-9,11-14H2,1-2H3,(H,21,24).
What are the key properties of N-methyl-2-[1-(8-propoxyquinolin-4-yl)piperidin-4-yl]acetamide?
N-methyl-2-[1-(8-propoxyquinolin-4-yl)piperidin-4-yl]acetamide has a molecular weight of 341.46 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-(8-propoxyquinolin-4-yl)piperidin-4-yl]acetamide is sourced from PubChem (CID 99842332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).