2-[3-[(3-methylphenyl)methoxy]phenyl]-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride

C22H30ClN3O2 — CID 119446399

IUPAC2-[3-[(3-methylphenyl)methoxy]phenyl]-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
SMILESCc1cccc(COc2cccc(CC(=O)NCCN3CCNCC3)c2)c1.Cl
InChIInChI=1S/C22H29N3O2.ClH/c1-18-4-2-6-20(14-18)17-27-21-7-3-5-19(15-21)16-22(26)24-10-13-25-11-8-23-9-12-25;/h2-7,14-15,23H,8-13,16-17H2,1H3,(H,24,26);1H
InChIKeyVDRGHJZYYDMGHN-UHFFFAOYSA-N
MW403.95 g/mol
LogP2.56
Rot. Bonds8

About 2-[3-[(3-methylphenyl)methoxy]phenyl]-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride

2-[3-[(3-methylphenyl)methoxy]phenyl]-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride (PubChem CID 119446399) has the molecular formula C22H30ClN3O2 and a molecular weight of 403.95 g/mol. Its IUPAC name is 2-[3-[(3-methylphenyl)methoxy]phenyl]-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[3-[(3-methylphenyl)methoxy]phenyl]-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
PubChem CID119446399
Molecular FormulaC22H30ClN3O2
Molecular Weight403.95 g/mol
Exact Mass403.20
IUPAC Name2-[3-[(3-methylphenyl)methoxy]phenyl]-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
SMILESCc1cccc(COc2cccc(CC(=O)NCCN3CCNCC3)c2)c1.Cl
InChIInChI=1S/C22H29N3O2.ClH/c1-18-4-2-6-20(14-18)17-27-21-7-3-5-19(15-21)16-22(26)24-10-13-25-11-8-23-9-12-25;/h2-7,14-15,23H,8-13,16-17H2,1H3,(H,24,26);1H
InChIKeyVDRGHJZYYDMGHN-UHFFFAOYSA-N
XLogP2.56
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.95
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(2-methylphenyl)methoxy]phenyl]-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119390993
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2-(3-chlorophenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119448868
2-[3-[(3-methylphenyl)methoxy]phenyl]-N-(2-piperidin-3-ylethyl)acetamide
CID 119556601
2-(4-methylphenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119260061
2-(2,5-dimethylphenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 62537843
N-[2-(3-methylphenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 113099136
3-(2-methoxyethoxy)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119444759
3-ethoxy-N-(2-piperazin-1-ylethyl)benzamide
CID 119447922
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-[(3-methylphenyl)methoxy]benzamide
CID 55526447
1-[2-(3-methoxyphenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea
CID 108900946
N-(2-piperazin-1-ylethyl)-3-propoxybenzamide
CID 62050340

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-methylphenyl)methoxy]phenyl]-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride?
The IUPAC name of 2-[3-[(3-methylphenyl)methoxy]phenyl]-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride (CID 119446399) is 2-[3-[(3-methylphenyl)methoxy]phenyl]-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[3-[(3-methylphenyl)methoxy]phenyl]-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride?
The canonical SMILES for 2-[3-[(3-methylphenyl)methoxy]phenyl]-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride is Cc1cccc(COc2cccc(CC(=O)NCCN3CCNCC3)c2)c1.Cl.
What is the InChIKey of 2-[3-[(3-methylphenyl)methoxy]phenyl]-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride?
The InChIKey is VDRGHJZYYDMGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2.ClH/c1-18-4-2-6-20(14-18)17-27-21-7-3-5-19(15-21)16-22(26)24-10-13-25-11-8-23-9-12-25;/h2-7,14-15,23H,8-13,16-17H2,1H3,(H,24,26);1H.
What are the key properties of 2-[3-[(3-methylphenyl)methoxy]phenyl]-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride?
2-[3-[(3-methylphenyl)methoxy]phenyl]-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride has a molecular weight of 403.95 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-methylphenyl)methoxy]phenyl]-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride is sourced from PubChem (CID 119446399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).