N-[(4-ethoxyphenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylacetamide

C23H31N3O3 — CID 8687133

IUPACN-[(4-ethoxyphenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylacetamide
SMILESCCOc1ccc(CN(C)C(=O)CN2CCN(c3ccccc3OC)CC2)cc1
InChIInChI=1S/C23H31N3O3/c1-4-29-20-11-9-19(10-12-20)17-24(2)23(27)18-25-13-15-26(16-14-25)21-7-5-6-8-22(21)28-3/h5-12H,4,13-18H2,1-3H3
InChIKeyPKSBZESZBXWYQK-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.87
Rot. Bonds8

About N-[(4-ethoxyphenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylacetamide

N-[(4-ethoxyphenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylacetamide (PubChem CID 8687133) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylacetamide
PubChem CID8687133
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC NameN-[(4-ethoxyphenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylacetamide
SMILESCCOc1ccc(CN(C)C(=O)CN2CCN(c3ccccc3OC)CC2)cc1
InChIInChI=1S/C23H31N3O3/c1-4-29-20-11-9-19(10-12-20)17-24(2)23(27)18-25-13-15-26(16-14-25)21-7-5-6-8-22(21)28-3/h5-12H,4,13-18H2,1-3H3
InChIKeyPKSBZESZBXWYQK-UHFFFAOYSA-N
XLogP2.87
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylacetamide
CID 8687143
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 8725618
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylacetamide
CID 36846103
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 78815634
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide
CID 134031871
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide
CID 8531367
2-(1,4-diazepan-1-yl)-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide;hydrochloride
CID 119905975
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 78807930
4-[[4-(2-methoxyphenyl)piperazin-1-yl]methoxy]benzoic acid
CID 20985299
[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]phenyl]methyl carbamate
CID 44538760
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8595306
3-[[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]methyl]-1,1-dimethylurea
CID 44538852

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylacetamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylacetamide (CID 8687133) is N-[(4-ethoxyphenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylacetamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylacetamide is CCOc1ccc(CN(C)C(=O)CN2CCN(c3ccccc3OC)CC2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylacetamide?
The InChIKey is PKSBZESZBXWYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-4-29-20-11-9-19(10-12-20)17-24(2)23(27)18-25-13-15-26(16-14-25)21-7-5-6-8-22(21)28-3/h5-12H,4,13-18H2,1-3H3.
What are the key properties of N-[(4-ethoxyphenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylacetamide?
N-[(4-ethoxyphenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylacetamide has a molecular weight of 397.52 g/mol, XLogP of 2.87, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 8687133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).