N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-2-phenoxyacetamide

C21H25N3O3 — CID 110314944

IUPACN-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-2-phenoxyacetamide
SMILESCN1CCN(CC(=O)c2ccc(NC(=O)COc3ccccc3)cc2)CC1
InChIInChI=1S/C21H25N3O3/c1-23-11-13-24(14-12-23)15-20(25)17-7-9-18(10-8-17)22-21(26)16-27-19-5-3-2-4-6-19/h2-10H,11-16H2,1H3,(H,22,26)
InChIKeyWPMIXRPJVCVZGZ-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.13
Rot. Bonds7

About N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-2-phenoxyacetamide

N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-2-phenoxyacetamide (PubChem CID 110314944) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-2-phenoxyacetamide
PubChem CID110314944
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-2-phenoxyacetamide
SMILESCN1CCN(CC(=O)c2ccc(NC(=O)COc3ccccc3)cc2)CC1
InChIInChI=1S/C21H25N3O3/c1-23-11-13-24(14-12-23)15-20(25)17-7-9-18(10-8-17)22-21(26)16-27-19-5-3-2-4-6-19/h2-10H,11-16H2,1H3,(H,22,26)
InChIKeyWPMIXRPJVCVZGZ-UHFFFAOYSA-N
XLogP2.13
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-3-phenylpropanamide
CID 110314943
2-(2,4-dichlorophenoxy)-N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]acetamide
CID 170861562
N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]acetamide
CID 14852210
N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-3-phenylbutanamide
CID 110634314
(E)-N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-3-phenylbut-2-enamide
CID 110312545
2-(2-methylphenoxy)-N-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]acetamide
CID 170861936
2-methyl-N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]propanamide
CID 110314912
N-(4-acetamidophenyl)-2-phenoxyacetamide
CID 675023
N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-phenoxyacetamide
CID 2995302
1-(4-methylphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone
CID 110366355
2-(3-methylphenoxy)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide
CID 108743731
1-(4-methoxyphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone
CID 110359047

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-2-phenoxyacetamide?
The IUPAC name of N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-2-phenoxyacetamide (CID 110314944) is N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-2-phenoxyacetamide is CN1CCN(CC(=O)c2ccc(NC(=O)COc3ccccc3)cc2)CC1.
What is the InChIKey of N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-2-phenoxyacetamide?
The InChIKey is WPMIXRPJVCVZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-23-11-13-24(14-12-23)15-20(25)17-7-9-18(10-8-17)22-21(26)16-27-19-5-3-2-4-6-19/h2-10H,11-16H2,1H3,(H,22,26).
What are the key properties of N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-2-phenoxyacetamide?
N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-2-phenoxyacetamide has a molecular weight of 367.45 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-2-phenoxyacetamide is sourced from PubChem (CID 110314944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).