1-[4-[2-[2-(4-methoxyphenoxy)ethylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone

C21H26N4O4 — CID 109169045

IUPAC1-[4-[2-[2-(4-methoxyphenoxy)ethylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone
SMILESCOc1ccc(OCCNc2cc(C(=O)N3CCN(C(C)=O)CC3)ccn2)cc1
InChIInChI=1S/C21H26N4O4/c1-16(26)24-10-12-25(13-11-24)21(27)17-7-8-22-20(15-17)23-9-14-29-19-5-3-18(28-2)4-6-19/h3-8,15H,9-14H2,1-2H3,(H,22,23)
InChIKeyMTDXOPVOMJHMNQ-UHFFFAOYSA-N
MW398.46 g/mol
LogP1.89
Rot. Bonds7

About 1-[4-[2-[2-(4-methoxyphenoxy)ethylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone

1-[4-[2-[2-(4-methoxyphenoxy)ethylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone (PubChem CID 109169045) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is 1-[4-[2-[2-(4-methoxyphenoxy)ethylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[2-(4-methoxyphenoxy)ethylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone
PubChem CID109169045
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC Name1-[4-[2-[2-(4-methoxyphenoxy)ethylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone
SMILESCOc1ccc(OCCNc2cc(C(=O)N3CCN(C(C)=O)CC3)ccn2)cc1
InChIInChI=1S/C21H26N4O4/c1-16(26)24-10-12-25(13-11-24)21(27)17-7-8-22-20(15-17)23-9-14-29-19-5-3-18(28-2)4-6-19/h3-8,15H,9-14H2,1-2H3,(H,22,23)
InChIKeyMTDXOPVOMJHMNQ-UHFFFAOYSA-N
XLogP1.89
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[2-[(4-methoxyphenyl)methylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone
CID 109169022
[2-[2-(4-methoxyphenoxy)ethylamino]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109174945
[4-(4-methoxyphenyl)piperazin-1-yl]-[2-(propylamino)-4-pyridinyl]methanone
CID 109165116
[4-(4-methoxyphenyl)piperazin-1-yl]-[2-(3-methylbutylamino)-4-pyridinyl]methanone
CID 109175248
(4-methoxyphenyl)-[4-[2-(methylamino)pyridine-4-carbonyl]piperazin-1-yl]methanone
CID 70751840
N,N-diethyl-2-[2-(4-methoxyphenoxy)ethylamino]pyridine-4-carboxamide
CID 109174710
N-[2-(4-methoxyphenoxy)ethyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080378
1-[4-[2-(3-phenylpropylamino)pyridine-4-carbonyl]piperazin-1-yl]ethanone
CID 109169044
N-(4-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]pyridine-4-carboxamide
CID 109174963
2-[2-(4-methoxyphenoxy)ethylamino]-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109174968
4-[6-[2-(4-methoxyphenoxy)ethylamino]-2-methylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109367610
1-(4-acetylpiperazin-1-yl)-3-[2-(4-methoxyphenoxy)ethylamino]propan-1-one
CID 109018152

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[2-(4-methoxyphenoxy)ethylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[2-(4-methoxyphenoxy)ethylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone (CID 109169045) is 1-[4-[2-[2-(4-methoxyphenoxy)ethylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[2-(4-methoxyphenoxy)ethylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[2-(4-methoxyphenoxy)ethylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone is COc1ccc(OCCNc2cc(C(=O)N3CCN(C(C)=O)CC3)ccn2)cc1.
What is the InChIKey of 1-[4-[2-[2-(4-methoxyphenoxy)ethylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is MTDXOPVOMJHMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-16(26)24-10-12-25(13-11-24)21(27)17-7-8-22-20(15-17)23-9-14-29-19-5-3-18(28-2)4-6-19/h3-8,15H,9-14H2,1-2H3,(H,22,23).
What are the key properties of 1-[4-[2-[2-(4-methoxyphenoxy)ethylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone?
1-[4-[2-[2-(4-methoxyphenoxy)ethylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 398.46 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[2-(4-methoxyphenoxy)ethylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 109169045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).