(6-methyl-2-pyridinyl)-[2-(3-phenylpropyl)morpholin-4-yl]methanone

C20H24N2O2 — CID 45238402

IUPAC(6-methyl-2-pyridinyl)-[2-(3-phenylpropyl)morpholin-4-yl]methanone
SMILESCc1cccc(C(=O)N2CCOC(CCCc3ccccc3)C2)n1
InChIInChI=1S/C20H24N2O2/c1-16-7-5-12-19(21-16)20(23)22-13-14-24-18(15-22)11-6-10-17-8-3-2-4-9-17/h2-5,7-9,12,18H,6,10-11,13-15H2,1H3
InChIKeyBCKGXEUIKDRHRE-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.25
Rot. Bonds5

About (6-methyl-2-pyridinyl)-[2-(3-phenylpropyl)morpholin-4-yl]methanone

(6-methyl-2-pyridinyl)-[2-(3-phenylpropyl)morpholin-4-yl]methanone (PubChem CID 45238402) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (6-methyl-2-pyridinyl)-[2-(3-phenylpropyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(6-methyl-2-pyridinyl)-[2-(3-phenylpropyl)morpholin-4-yl]methanone
PubChem CID45238402
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(6-methyl-2-pyridinyl)-[2-(3-phenylpropyl)morpholin-4-yl]methanone
SMILESCc1cccc(C(=O)N2CCOC(CCCc3ccccc3)C2)n1
InChIInChI=1S/C20H24N2O2/c1-16-7-5-12-19(21-16)20(23)22-13-14-24-18(15-22)11-6-10-17-8-3-2-4-9-17/h2-5,7-9,12,18H,6,10-11,13-15H2,1H3
InChIKeyBCKGXEUIKDRHRE-UHFFFAOYSA-N
XLogP3.25
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-2-pyridinyl)-[2-(3-phenylpropyl)morpholin-4-yl]methanone?
The IUPAC name of (6-methyl-2-pyridinyl)-[2-(3-phenylpropyl)morpholin-4-yl]methanone (CID 45238402) is (6-methyl-2-pyridinyl)-[2-(3-phenylpropyl)morpholin-4-yl]methanone.
What is the SMILES notation for (6-methyl-2-pyridinyl)-[2-(3-phenylpropyl)morpholin-4-yl]methanone?
The canonical SMILES for (6-methyl-2-pyridinyl)-[2-(3-phenylpropyl)morpholin-4-yl]methanone is Cc1cccc(C(=O)N2CCOC(CCCc3ccccc3)C2)n1.
What is the InChIKey of (6-methyl-2-pyridinyl)-[2-(3-phenylpropyl)morpholin-4-yl]methanone?
The InChIKey is BCKGXEUIKDRHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-16-7-5-12-19(21-16)20(23)22-13-14-24-18(15-22)11-6-10-17-8-3-2-4-9-17/h2-5,7-9,12,18H,6,10-11,13-15H2,1H3.
What are the key properties of (6-methyl-2-pyridinyl)-[2-(3-phenylpropyl)morpholin-4-yl]methanone?
(6-methyl-2-pyridinyl)-[2-(3-phenylpropyl)morpholin-4-yl]methanone has a molecular weight of 324.42 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2-pyridinyl)-[2-(3-phenylpropyl)morpholin-4-yl]methanone is sourced from PubChem (CID 45238402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).