N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-(2-propan-2-yloxyphenyl)acetamide

C23H31N3O2 — CID 52815152

IUPACN-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-(2-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccccc1CC(=O)Nc1cccc(CN2CCN(C)CC2)c1
InChIInChI=1S/C23H31N3O2/c1-18(2)28-22-10-5-4-8-20(22)16-23(27)24-21-9-6-7-19(15-21)17-26-13-11-25(3)12-14-26/h4-10,15,18H,11-14,16-17H2,1-3H3,(H,24,27)
InChIKeySZXHIGXFNPCDAN-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.40
Rot. Bonds7

About N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-(2-propan-2-yloxyphenyl)acetamide

N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-(2-propan-2-yloxyphenyl)acetamide (PubChem CID 52815152) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-(2-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-(2-propan-2-yloxyphenyl)acetamide
PubChem CID52815152
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC NameN-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-(2-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccccc1CC(=O)Nc1cccc(CN2CCN(C)CC2)c1
InChIInChI=1S/C23H31N3O2/c1-18(2)28-22-10-5-4-8-20(22)16-23(27)24-21-9-6-7-19(15-21)17-26-13-11-25(3)12-14-26/h4-10,15,18H,11-14,16-17H2,1-3H3,(H,24,27)
InChIKeySZXHIGXFNPCDAN-UHFFFAOYSA-N
XLogP3.40
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-aminophenyl)-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]propanamide
CID 120613542
N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-(4-sulfamoylphenyl)acetamide
CID 56545126
2-amino-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-phenylpropanamide
CID 119902578
4-amino-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]butanamide
CID 119902624
N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]octanamide
CID 60580118
2-cyclopentyl-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide
CID 60580220
2-phenyl-N-(3-propan-2-yloxyphenyl)acetamide
CID 6458056
2-(2-methoxyphenoxy)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 131930532
N-cyclohexyl-1-[[3-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 72705225
2-(2-methoxyphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 39695127
2-amino-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-(oxan-4-yl)acetamide;trihydrochloride
CID 120801639
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide
CID 86839413

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-(2-propan-2-yloxyphenyl)acetamide?
The IUPAC name of N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-(2-propan-2-yloxyphenyl)acetamide (CID 52815152) is N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-(2-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-(2-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-(2-propan-2-yloxyphenyl)acetamide is CC(C)Oc1ccccc1CC(=O)Nc1cccc(CN2CCN(C)CC2)c1.
What is the InChIKey of N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-(2-propan-2-yloxyphenyl)acetamide?
The InChIKey is SZXHIGXFNPCDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-18(2)28-22-10-5-4-8-20(22)16-23(27)24-21-9-6-7-19(15-21)17-26-13-11-25(3)12-14-26/h4-10,15,18H,11-14,16-17H2,1-3H3,(H,24,27).
What are the key properties of N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-(2-propan-2-yloxyphenyl)acetamide?
N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-(2-propan-2-yloxyphenyl)acetamide has a molecular weight of 381.52 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-(2-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 52815152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).