2-(4-methoxyphenoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]acetamide

C27H31N3O3 — CID 36554280

IUPAC2-(4-methoxyphenoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]acetamide
SMILESCOc1ccc(OCC(=O)NCc2ccccc2CN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C27H31N3O3/c1-32-25-11-13-26(14-12-25)33-21-27(31)28-19-22-7-5-6-8-23(22)20-29-15-17-30(18-16-29)24-9-3-2-4-10-24/h2-14H,15-21H2,1H3,(H,28,31)
InChIKeyASZWJJGFXNXKGA-UHFFFAOYSA-N
MW445.56 g/mol
LogP3.71
Rot. Bonds9

About 2-(4-methoxyphenoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]acetamide

2-(4-methoxyphenoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]acetamide (PubChem CID 36554280) has the molecular formula C27H31N3O3 and a molecular weight of 445.56 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]acetamide
PubChem CID36554280
Molecular FormulaC27H31N3O3
Molecular Weight445.56 g/mol
Exact Mass445.24
IUPAC Name2-(4-methoxyphenoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]acetamide
SMILESCOc1ccc(OCC(=O)NCc2ccccc2CN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C27H31N3O3/c1-32-25-11-13-26(14-12-25)33-21-27(31)28-19-22-7-5-6-8-23(22)20-29-15-17-30(18-16-29)24-9-3-2-4-10-24/h2-14H,15-21H2,1H3,(H,28,31)
InChIKeyASZWJJGFXNXKGA-UHFFFAOYSA-N
XLogP3.71
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenoxy)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8969090
4-(4-fluorophenoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]butanamide
CID 36553152
2-(4-methoxyphenoxy)-N-(naphthalen-1-ylmethyl)acetamide
CID 95945546
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(4-propanoylphenoxy)acetamide
CID 51207835
2-(4-cyanophenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9142712
3-(3-chloro-4-methoxyphenyl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]propanamide
CID 55661061
N-[2-(4-methoxyphenyl)ethyl]-2-[2-[(4-phenylpiperazin-1-yl)methyl]-4-pyrimidin-2-ylphenoxy]acetamide
CID 45181759
2-(3,5-dimethylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9142680
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-methoxyphenoxy)acetamide
CID 42266721
2-(4-methylphenoxy)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 42224572
(2R)-2-amino-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]propanamide;trihydrochloride
CID 119902129
N-benzyl-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109018803

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]acetamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]acetamide (CID 36554280) is 2-(4-methoxyphenoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]acetamide is COc1ccc(OCC(=O)NCc2ccccc2CN2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]acetamide?
The InChIKey is ASZWJJGFXNXKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O3/c1-32-25-11-13-26(14-12-25)33-21-27(31)28-19-22-7-5-6-8-23(22)20-29-15-17-30(18-16-29)24-9-3-2-4-10-24/h2-14H,15-21H2,1H3,(H,28,31).
What are the key properties of 2-(4-methoxyphenoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]acetamide?
2-(4-methoxyphenoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]acetamide has a molecular weight of 445.56 g/mol, XLogP of 3.71, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]acetamide is sourced from PubChem (CID 36554280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).