[4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone

C21H27N3O2 — CID 109214584

IUPAC[4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
SMILESCOc1ccc(CCNc2ccnc(C(=O)N3CCCC(C)C3)c2)cc1
InChIInChI=1S/C21H27N3O2/c1-16-4-3-13-24(15-16)21(25)20-14-18(10-12-23-20)22-11-9-17-5-7-19(26-2)8-6-17/h5-8,10,12,14,16H,3-4,9,11,13,15H2,1-2H3,(H,22,23)
InChIKeyQJHSAJKIIZVQON-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.62
Rot. Bonds6

About [4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone

[4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 109214584) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is [4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
PubChem CID109214584
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name[4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
SMILESCOc1ccc(CCNc2ccnc(C(=O)N3CCCC(C)C3)c2)cc1
InChIInChI=1S/C21H27N3O2/c1-16-4-3-13-24(15-16)21(25)20-14-18(10-12-23-20)22-11-9-17-5-7-19(26-2)8-6-17/h5-8,10,12,14,16H,3-4,9,11,13,15H2,1-2H3,(H,22,23)
InChIKeyQJHSAJKIIZVQON-UHFFFAOYSA-N
XLogP3.62
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208083
[5-[2-(4-methoxyphenyl)ethylamino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109284918
N-cyclopentyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109204026
[4-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205101
azepan-1-yl-[4-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]methanone
CID 109214460
[4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109218095
[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109192409
[6-[2-(3-methoxyphenyl)ethylamino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109351298
[2-[2-(4-chlorophenyl)ethylamino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109309740
2,3-dihydroindol-1-yl-[4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]methanone
CID 109214592
[3-(methoxymethyl)piperidin-1-yl]-[4-(propylamino)-2-pyridinyl]methanone
CID 106588798
4-[2-(4-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109202891

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone (CID 109214584) is [4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone is COc1ccc(CCNc2ccnc(C(=O)N3CCCC(C)C3)c2)cc1.
What is the InChIKey of [4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is QJHSAJKIIZVQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-16-4-3-13-24(15-16)21(25)20-14-18(10-12-23-20)22-11-9-17-5-7-19(26-2)8-6-17/h5-8,10,12,14,16H,3-4,9,11,13,15H2,1-2H3,(H,22,23).
What are the key properties of [4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
[4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 353.47 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109214584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).