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

C21H27N3O3 — CID 109174945

IUPAC[2-[2-(4-methoxyphenoxy)ethylamino]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
SMILESCOc1ccc(OCCNc2cc(C(=O)N3CCCC(C)C3)ccn2)cc1
InChIInChI=1S/C21H27N3O3/c1-16-4-3-12-24(15-16)21(25)17-9-10-22-20(14-17)23-11-13-27-19-7-5-18(26-2)6-8-19/h5-10,14,16H,3-4,11-13,15H2,1-2H3,(H,22,23)
InChIKeyIZIAOJIJXBSSGM-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.45
Rot. Bonds7

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

[2-[2-(4-methoxyphenoxy)ethylamino]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 109174945) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is [2-[2-(4-methoxyphenoxy)ethylamino]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-[2-(4-methoxyphenoxy)ethylamino]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
PubChem CID109174945
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name[2-[2-(4-methoxyphenoxy)ethylamino]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
SMILESCOc1ccc(OCCNc2cc(C(=O)N3CCCC(C)C3)ccn2)cc1
InChIInChI=1S/C21H27N3O3/c1-16-4-3-12-24(15-16)21(25)17-9-10-22-20(14-17)23-11-13-27-19-7-5-18(26-2)6-8-19/h5-10,14,16H,3-4,11-13,15H2,1-2H3,(H,22,23)
InChIKeyIZIAOJIJXBSSGM-UHFFFAOYSA-N
XLogP3.45
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[2-[2-(4-methoxyphenoxy)ethylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone
CID 109169045
[2-[(3,4-dimethoxyphenyl)methylamino]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109173925
[2-(3,4-dimethoxyanilino)-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109175732
[4-[(4-methoxyphenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone
CID 122195783
(3-methylpiperidin-1-yl)-[2-(4-propan-2-yloxyanilino)-4-pyridinyl]methanone
CID 109175729
N-[2-(4-methoxyphenoxy)ethyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080378
[4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109214584
N-[3-(4-methoxyphenoxy)propyl]-N',3-dimethylpiperidine-1-carboximidamide
CID 111144532
N,N-diethyl-2-[2-(4-methoxyphenoxy)ethylamino]pyridine-4-carboxamide
CID 109174710
4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700608
[2-(3-cyclohexyloxypropylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 135112899
[5-[2-(4-methoxyphenyl)ethylamino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109284918

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-methoxyphenoxy)ethylamino]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-[2-(4-methoxyphenoxy)ethylamino]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone (CID 109174945) is [2-[2-(4-methoxyphenoxy)ethylamino]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-[2-(4-methoxyphenoxy)ethylamino]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-[2-(4-methoxyphenoxy)ethylamino]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone is COc1ccc(OCCNc2cc(C(=O)N3CCCC(C)C3)ccn2)cc1.
What is the InChIKey of [2-[2-(4-methoxyphenoxy)ethylamino]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is IZIAOJIJXBSSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-16-4-3-12-24(15-16)21(25)17-9-10-22-20(14-17)23-11-13-27-19-7-5-18(26-2)6-8-19/h5-10,14,16H,3-4,11-13,15H2,1-2H3,(H,22,23).
What are the key properties of [2-[2-(4-methoxyphenoxy)ethylamino]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
[2-[2-(4-methoxyphenoxy)ethylamino]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 369.47 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-methoxyphenoxy)ethylamino]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109174945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).