1-[[(3R)-1-(6,7-dimethoxyquinolin-4-yl)piperidin-3-yl]methyl]piperidin-2-one

C22H29N3O3 — CID 70313258

IUPAC1-[[(3R)-1-(6,7-dimethoxyquinolin-4-yl)piperidin-3-yl]methyl]piperidin-2-one
SMILESCOc1cc2nccc(N3CCC[C@@H](CN4CCCCC4=O)C3)c2cc1OC
InChIInChI=1S/C22H29N3O3/c1-27-20-12-17-18(13-21(20)28-2)23-9-8-19(17)24-11-5-6-16(14-24)15-25-10-4-3-7-22(25)26/h8-9,12-13,16H,3-7,10-11,14-15H2,1-2H3/t16-/m1/s1
InChIKeyJZCPUZVMIMUCAT-MRXNPFEDSA-N
MW383.49 g/mol
LogP3.48
Rot. Bonds5

About 1-[[(3R)-1-(6,7-dimethoxyquinolin-4-yl)piperidin-3-yl]methyl]piperidin-2-one

1-[[(3R)-1-(6,7-dimethoxyquinolin-4-yl)piperidin-3-yl]methyl]piperidin-2-one (PubChem CID 70313258) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 1-[[(3R)-1-(6,7-dimethoxyquinolin-4-yl)piperidin-3-yl]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[[(3R)-1-(6,7-dimethoxyquinolin-4-yl)piperidin-3-yl]methyl]piperidin-2-one
PubChem CID70313258
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name1-[[(3R)-1-(6,7-dimethoxyquinolin-4-yl)piperidin-3-yl]methyl]piperidin-2-one
SMILESCOc1cc2nccc(N3CCC[C@@H](CN4CCCCC4=O)C3)c2cc1OC
InChIInChI=1S/C22H29N3O3/c1-27-20-12-17-18(13-21(20)28-2)23-9-8-19(17)24-11-5-6-16(14-24)15-25-10-4-3-7-22(25)26/h8-9,12-13,16H,3-7,10-11,14-15H2,1-2H3/t16-/m1/s1
InChIKeyJZCPUZVMIMUCAT-MRXNPFEDSA-N
XLogP3.48
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[(3R)-1-(6,7-dimethoxyquinolin-4-yl)piperidin-3-yl]methyl]piperidin-2-one?
The IUPAC name of 1-[[(3R)-1-(6,7-dimethoxyquinolin-4-yl)piperidin-3-yl]methyl]piperidin-2-one (CID 70313258) is 1-[[(3R)-1-(6,7-dimethoxyquinolin-4-yl)piperidin-3-yl]methyl]piperidin-2-one.
What is the SMILES notation for 1-[[(3R)-1-(6,7-dimethoxyquinolin-4-yl)piperidin-3-yl]methyl]piperidin-2-one?
The canonical SMILES for 1-[[(3R)-1-(6,7-dimethoxyquinolin-4-yl)piperidin-3-yl]methyl]piperidin-2-one is COc1cc2nccc(N3CCC[C@@H](CN4CCCCC4=O)C3)c2cc1OC.
What is the InChIKey of 1-[[(3R)-1-(6,7-dimethoxyquinolin-4-yl)piperidin-3-yl]methyl]piperidin-2-one?
The InChIKey is JZCPUZVMIMUCAT-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-27-20-12-17-18(13-21(20)28-2)23-9-8-19(17)24-11-5-6-16(14-24)15-25-10-4-3-7-22(25)26/h8-9,12-13,16H,3-7,10-11,14-15H2,1-2H3/t16-/m1/s1.
What are the key properties of 1-[[(3R)-1-(6,7-dimethoxyquinolin-4-yl)piperidin-3-yl]methyl]piperidin-2-one?
1-[[(3R)-1-(6,7-dimethoxyquinolin-4-yl)piperidin-3-yl]methyl]piperidin-2-one has a molecular weight of 383.49 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R)-1-(6,7-dimethoxyquinolin-4-yl)piperidin-3-yl]methyl]piperidin-2-one is sourced from PubChem (CID 70313258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).