(4-methylpiperidin-1-yl)-[2-(4-phenoxyanilino)-4-pyridinyl]methanone

C24H25N3O2 — CID 109166454

IUPAC(4-methylpiperidin-1-yl)-[2-(4-phenoxyanilino)-4-pyridinyl]methanone
SMILESCC1CCN(C(=O)c2ccnc(Nc3ccc(Oc4ccccc4)cc3)c2)CC1
InChIInChI=1S/C24H25N3O2/c1-18-12-15-27(16-13-18)24(28)19-11-14-25-23(17-19)26-20-7-9-22(10-8-20)29-21-5-3-2-4-6-21/h2-11,14,17-18H,12-13,15-16H2,1H3,(H,25,26)
InChIKeyZWMXPLWDSKGTTA-UHFFFAOYSA-N
MW387.48 g/mol
LogP5.49
Rot. Bonds5

About (4-methylpiperidin-1-yl)-[2-(4-phenoxyanilino)-4-pyridinyl]methanone

(4-methylpiperidin-1-yl)-[2-(4-phenoxyanilino)-4-pyridinyl]methanone (PubChem CID 109166454) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[2-(4-phenoxyanilino)-4-pyridinyl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[2-(4-phenoxyanilino)-4-pyridinyl]methanone
PubChem CID109166454
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name(4-methylpiperidin-1-yl)-[2-(4-phenoxyanilino)-4-pyridinyl]methanone
SMILESCC1CCN(C(=O)c2ccnc(Nc3ccc(Oc4ccccc4)cc3)c2)CC1
InChIInChI=1S/C24H25N3O2/c1-18-12-15-27(16-13-18)24(28)19-11-14-25-23(17-19)26-20-7-9-22(10-8-20)29-21-5-3-2-4-6-21/h2-11,14,17-18H,12-13,15-16H2,1H3,(H,25,26)
InChIKeyZWMXPLWDSKGTTA-UHFFFAOYSA-N
XLogP5.49
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methylpiperidin-1-yl)-[2-(4-propan-2-yloxyanilino)-4-pyridinyl]methanone
CID 109175729
(4-methylpiperidin-1-yl)-[5-(4-phenoxyphenyl)-3-pyridinyl]methanone
CID 46032979
[2-(4-methoxyanilino)pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 109250762
(4-methylpiperidin-1-yl)-(4-pyrimidin-2-yloxyphenyl)methanone
CID 70702933
(2-amino-4-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 62155864
[2-(methylamino)-4-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
CID 62181147
[6-(4-ethoxyanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109342436
N-(3-methoxyphenyl)-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081751
N-(4-methoxyphenyl)-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081898
[2-(3,4-dimethoxyanilino)-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109175732
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54822959
[6-(4-methoxyanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109364360

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[2-(4-phenoxyanilino)-4-pyridinyl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[2-(4-phenoxyanilino)-4-pyridinyl]methanone (CID 109166454) is (4-methylpiperidin-1-yl)-[2-(4-phenoxyanilino)-4-pyridinyl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[2-(4-phenoxyanilino)-4-pyridinyl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[2-(4-phenoxyanilino)-4-pyridinyl]methanone is CC1CCN(C(=O)c2ccnc(Nc3ccc(Oc4ccccc4)cc3)c2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[2-(4-phenoxyanilino)-4-pyridinyl]methanone?
The InChIKey is ZWMXPLWDSKGTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-18-12-15-27(16-13-18)24(28)19-11-14-25-23(17-19)26-20-7-9-22(10-8-20)29-21-5-3-2-4-6-21/h2-11,14,17-18H,12-13,15-16H2,1H3,(H,25,26).
What are the key properties of (4-methylpiperidin-1-yl)-[2-(4-phenoxyanilino)-4-pyridinyl]methanone?
(4-methylpiperidin-1-yl)-[2-(4-phenoxyanilino)-4-pyridinyl]methanone has a molecular weight of 387.48 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[2-(4-phenoxyanilino)-4-pyridinyl]methanone is sourced from PubChem (CID 109166454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).