N-benzyl-2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-propan-2-ylacetamide;hydrochloride

C23H32ClN3O2 — CID 120753973

IUPACN-benzyl-2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-propan-2-ylacetamide;hydrochloride
SMILESCOc1ccccc1C1CNCCN1CC(=O)N(Cc1ccccc1)C(C)C.Cl
InChIInChI=1S/C23H31N3O2.ClH/c1-18(2)26(16-19-9-5-4-6-10-19)23(27)17-25-14-13-24-15-21(25)20-11-7-8-12-22(20)28-3;/h4-12,18,21,24H,13-17H2,1-3H3;1H
InChIKeyIBMCZZBKHREVTQ-UHFFFAOYSA-N
MW417.98 g/mol
LogP3.50
Rot. Bonds7

About N-benzyl-2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-propan-2-ylacetamide;hydrochloride

N-benzyl-2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-propan-2-ylacetamide;hydrochloride (PubChem CID 120753973) has the molecular formula C23H32ClN3O2 and a molecular weight of 417.98 g/mol. Its IUPAC name is N-benzyl-2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-propan-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-benzyl-2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-propan-2-ylacetamide;hydrochloride
PubChem CID120753973
Molecular FormulaC23H32ClN3O2
Molecular Weight417.98 g/mol
Exact Mass417.22
IUPAC NameN-benzyl-2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-propan-2-ylacetamide;hydrochloride
SMILESCOc1ccccc1C1CNCCN1CC(=O)N(Cc1ccccc1)C(C)C.Cl
InChIInChI=1S/C23H31N3O2.ClH/c1-18(2)26(16-19-9-5-4-6-10-19)23(27)17-25-14-13-24-15-21(25)20-11-7-8-12-22(20)28-3;/h4-12,18,21,24H,13-17H2,1-3H3;1H
InChIKeyIBMCZZBKHREVTQ-UHFFFAOYSA-N
XLogP3.50
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.98
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753744
2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide;hydrochloride
CID 120753875
[4-[[ethyl(propan-2-yl)amino]methyl]phenyl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120732723
2-(2-methoxyphenyl)-1-(2-propan-2-ylsulfonylethyl)piperazine;hydrochloride
CID 120753314
N-(4-ethylphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753308
N-cyclopentyl-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753414
N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753574
2-[[2-[2-(2-methoxyphenyl)piperazin-1-yl]acetyl]amino]-N-methyl-2-phenylacetamide
CID 120754020
2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 120753647
N-[3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride
CID 120754113
2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide
CID 120753144
2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide
CID 120753930

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-propan-2-ylacetamide;hydrochloride?
The IUPAC name of N-benzyl-2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-propan-2-ylacetamide;hydrochloride (CID 120753973) is N-benzyl-2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-propan-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-benzyl-2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-propan-2-ylacetamide;hydrochloride?
The canonical SMILES for N-benzyl-2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-propan-2-ylacetamide;hydrochloride is COc1ccccc1C1CNCCN1CC(=O)N(Cc1ccccc1)C(C)C.Cl.
What is the InChIKey of N-benzyl-2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-propan-2-ylacetamide;hydrochloride?
The InChIKey is IBMCZZBKHREVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2.ClH/c1-18(2)26(16-19-9-5-4-6-10-19)23(27)17-25-14-13-24-15-21(25)20-11-7-8-12-22(20)28-3;/h4-12,18,21,24H,13-17H2,1-3H3;1H.
What are the key properties of N-benzyl-2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-propan-2-ylacetamide;hydrochloride?
N-benzyl-2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-propan-2-ylacetamide;hydrochloride has a molecular weight of 417.98 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-propan-2-ylacetamide;hydrochloride is sourced from PubChem (CID 120753973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).