2-(4-acetyl-2-methoxyphenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]acetamide

C22H28N4O4 — CID 55742869

IUPAC2-(4-acetyl-2-methoxyphenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]acetamide
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)NCc1ccnc(N2CCN(C)CC2)c1
InChIInChI=1S/C22H28N4O4/c1-16(27)18-4-5-19(20(13-18)29-3)30-15-22(28)24-14-17-6-7-23-21(12-17)26-10-8-25(2)9-11-26/h4-7,12-13H,8-11,14-15H2,1-3H3,(H,24,28)
InChIKeyHCYGRSAHKKARGE-UHFFFAOYSA-N
MW412.49 g/mol
LogP1.74
Rot. Bonds8

About 2-(4-acetyl-2-methoxyphenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]acetamide

2-(4-acetyl-2-methoxyphenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]acetamide (PubChem CID 55742869) has the molecular formula C22H28N4O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-(4-acetyl-2-methoxyphenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-methoxyphenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]acetamide
PubChem CID55742869
Molecular FormulaC22H28N4O4
Molecular Weight412.49 g/mol
Exact Mass412.21
IUPAC Name2-(4-acetyl-2-methoxyphenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]acetamide
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)NCc1ccnc(N2CCN(C)CC2)c1
InChIInChI=1S/C22H28N4O4/c1-16(27)18-4-5-19(20(13-18)29-3)30-15-22(28)24-14-17-6-7-23-21(12-17)26-10-8-25(2)9-11-26/h4-7,12-13H,8-11,14-15H2,1-3H3,(H,24,28)
InChIKeyHCYGRSAHKKARGE-UHFFFAOYSA-N
XLogP1.74
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(4-acetyl-2-methoxyphenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]acetamide with MolForge

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Related Compounds

2-(2,5-dichlorophenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]acetamide
CID 55742632
1-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]urea
CID 55794851
4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide
CID 155944201
2-[(3,4-dimethoxyphenyl)methyl]-1-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]guanidine;hydroiodide
CID 111049069
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-pyrazol-1-ylacetamide
CID 53499617
3-(3-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide
CID 55742598
4-(difluoromethoxy)-3-methoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 52554684
methyl 2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]acetate
CID 67382772
2-ethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
CID 52557964
1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 119901458
(2R)-2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide
CID 119901488
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-(trifluoromethylsulfanyl)benzamide
CID 55742686

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]acetamide?
The IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]acetamide (CID 55742869) is 2-(4-acetyl-2-methoxyphenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-(4-acetyl-2-methoxyphenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-(4-acetyl-2-methoxyphenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]acetamide is COc1cc(C(C)=O)ccc1OCC(=O)NCc1ccnc(N2CCN(C)CC2)c1.
What is the InChIKey of 2-(4-acetyl-2-methoxyphenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]acetamide?
The InChIKey is HCYGRSAHKKARGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4/c1-16(27)18-4-5-19(20(13-18)29-3)30-15-22(28)24-14-17-6-7-23-21(12-17)26-10-8-25(2)9-11-26/h4-7,12-13H,8-11,14-15H2,1-3H3,(H,24,28).
What are the key properties of 2-(4-acetyl-2-methoxyphenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]acetamide?
2-(4-acetyl-2-methoxyphenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]acetamide has a molecular weight of 412.49 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-methoxyphenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]acetamide is sourced from PubChem (CID 55742869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).