(4-methylpiperidin-1-yl)-[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone

C24H33N3O2 — CID 11646905

IUPAC(4-methylpiperidin-1-yl)-[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone
SMILESCC1CCN(C(=O)c2ccc3cc(OCCCN4CCCCC4)ccc3n2)CC1
InChIInChI=1S/C24H33N3O2/c1-19-10-15-27(16-11-19)24(28)23-8-6-20-18-21(7-9-22(20)25-23)29-17-5-14-26-12-3-2-4-13-26/h6-9,18-19H,2-5,10-17H2,1H3
InChIKeyXVNKWTFQCBSBQN-UHFFFAOYSA-N
MW395.55 g/mol
LogP4.36
Rot. Bonds6

About (4-methylpiperidin-1-yl)-[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone

(4-methylpiperidin-1-yl)-[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone (PubChem CID 11646905) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone
PubChem CID11646905
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name(4-methylpiperidin-1-yl)-[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone
SMILESCC1CCN(C(=O)c2ccc3cc(OCCCN4CCCCC4)ccc3n2)CC1
InChIInChI=1S/C24H33N3O2/c1-19-10-15-27(16-11-19)24(28)23-8-6-20-18-21(7-9-22(20)25-23)29-17-5-14-26-12-3-2-4-13-26/h6-9,18-19H,2-5,10-17H2,1H3
InChIKeyXVNKWTFQCBSBQN-UHFFFAOYSA-N
XLogP4.36
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone (CID 11646905) is (4-methylpiperidin-1-yl)-[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone is CC1CCN(C(=O)c2ccc3cc(OCCCN4CCCCC4)ccc3n2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone?
The InChIKey is XVNKWTFQCBSBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-19-10-15-27(16-11-19)24(28)23-8-6-20-18-21(7-9-22(20)25-23)29-17-5-14-26-12-3-2-4-13-26/h6-9,18-19H,2-5,10-17H2,1H3.
What are the key properties of (4-methylpiperidin-1-yl)-[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone?
(4-methylpiperidin-1-yl)-[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone has a molecular weight of 395.55 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone is sourced from PubChem (CID 11646905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).