N-[3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride

C20H26ClN3O2 — CID 120754113

IUPACN-[3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride
SMILESCOc1ccccc1C1CNCCN1Cc1cccc(NC(C)=O)c1.Cl
InChIInChI=1S/C20H25N3O2.ClH/c1-15(24)22-17-7-5-6-16(12-17)14-23-11-10-21-13-19(23)18-8-3-4-9-20(18)25-2;/h3-9,12,19,21H,10-11,13-14H2,1-2H3,(H,22,24);1H
InChIKeyDQDSUDFPRCFSJQ-UHFFFAOYSA-N
MW375.90 g/mol
LogP3.22
Rot. Bonds5

About N-[3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride

N-[3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride (PubChem CID 120754113) has the molecular formula C20H26ClN3O2 and a molecular weight of 375.90 g/mol. Its IUPAC name is N-[3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride
PubChem CID120754113
Molecular FormulaC20H26ClN3O2
Molecular Weight375.90 g/mol
Exact Mass375.17
IUPAC NameN-[3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride
SMILESCOc1ccccc1C1CNCCN1Cc1cccc(NC(C)=O)c1.Cl
InChIInChI=1S/C20H25N3O2.ClH/c1-15(24)22-17-7-5-6-16(12-17)14-23-11-10-21-13-19(23)18-8-3-4-9-20(18)25-2;/h3-9,12,19,21H,10-11,13-14H2,1-2H3,(H,22,24);1H
InChIKeyDQDSUDFPRCFSJQ-UHFFFAOYSA-N
XLogP3.22
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]acetamide
CID 120754114
N-(3-ethylphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 120753435
[3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone;hydrochloride
CID 120753770
1-[[3-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyphenyl)piperazine
CID 120754169
3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide
CID 120754221
N-benzyl-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753744
N-[4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride
CID 120768769
N-(3,5-difluorophenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753312
N-(4-ethylphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753308
N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753574
1-[(3-chloro-4-nitrophenyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120846326
[2-(2-methoxyphenyl)piperazin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone;dihydrochloride
CID 120735196

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride?
The IUPAC name of N-[3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride (CID 120754113) is N-[3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride is COc1ccccc1C1CNCCN1Cc1cccc(NC(C)=O)c1.Cl.
What is the InChIKey of N-[3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride?
The InChIKey is DQDSUDFPRCFSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2.ClH/c1-15(24)22-17-7-5-6-16(12-17)14-23-11-10-21-13-19(23)18-8-3-4-9-20(18)25-2;/h3-9,12,19,21H,10-11,13-14H2,1-2H3,(H,22,24);1H.
What are the key properties of N-[3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride?
N-[3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride has a molecular weight of 375.90 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride is sourced from PubChem (CID 120754113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).