N-[(4-methoxyphenyl)methyl]-2-(4-phenacylpiperazin-1-yl)acetamide;hydrochloride

C22H28ClN3O3 — CID 141035311

IUPACN-[(4-methoxyphenyl)methyl]-2-(4-phenacylpiperazin-1-yl)acetamide;hydrochloride
SMILESCOc1ccc(CNC(=O)CN2CCN(CC(=O)c3ccccc3)CC2)cc1.Cl
InChIInChI=1S/C22H27N3O3.ClH/c1-28-20-9-7-18(8-10-20)15-23-22(27)17-25-13-11-24(12-14-25)16-21(26)19-5-3-2-4-6-19;/h2-10H,11-17H2,1H3,(H,23,27);1H
InChIKeyBLVFINKBRBQWGH-UHFFFAOYSA-N
MW417.94 g/mol
LogP2.23
Rot. Bonds8

About N-[(4-methoxyphenyl)methyl]-2-(4-phenacylpiperazin-1-yl)acetamide;hydrochloride

N-[(4-methoxyphenyl)methyl]-2-(4-phenacylpiperazin-1-yl)acetamide;hydrochloride (PubChem CID 141035311) has the molecular formula C22H28ClN3O3 and a molecular weight of 417.94 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-(4-phenacylpiperazin-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-(4-phenacylpiperazin-1-yl)acetamide;hydrochloride
PubChem CID141035311
Molecular FormulaC22H28ClN3O3
Molecular Weight417.94 g/mol
Exact Mass417.18
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-(4-phenacylpiperazin-1-yl)acetamide;hydrochloride
SMILESCOc1ccc(CNC(=O)CN2CCN(CC(=O)c3ccccc3)CC2)cc1.Cl
InChIInChI=1S/C22H27N3O3.ClH/c1-28-20-9-7-18(8-10-20)15-23-22(27)17-25-13-11-24(12-14-25)16-21(26)19-5-3-2-4-6-19;/h2-10H,11-17H2,1H3,(H,23,27);1H
InChIKeyBLVFINKBRBQWGH-UHFFFAOYSA-N
XLogP2.23
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.94
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 8904372
N-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide
CID 33102925
2-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 27151351
4-[2-(benzylamino)-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 30940293
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 51080554
N-[(4-methoxyphenyl)methyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 34727834
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethanone
CID 863811
2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-phenylethanone
CID 110366218
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 37375142
N-benzyl-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 29487815
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-phenacylpiperazin-1-yl)acetamide
CID 11429359
2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 35228408

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(4-phenacylpiperazin-1-yl)acetamide;hydrochloride?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(4-phenacylpiperazin-1-yl)acetamide;hydrochloride (CID 141035311) is N-[(4-methoxyphenyl)methyl]-2-(4-phenacylpiperazin-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-(4-phenacylpiperazin-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-(4-phenacylpiperazin-1-yl)acetamide;hydrochloride is COc1ccc(CNC(=O)CN2CCN(CC(=O)c3ccccc3)CC2)cc1.Cl.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-(4-phenacylpiperazin-1-yl)acetamide;hydrochloride?
The InChIKey is BLVFINKBRBQWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3.ClH/c1-28-20-9-7-18(8-10-20)15-23-22(27)17-25-13-11-24(12-14-25)16-21(26)19-5-3-2-4-6-19;/h2-10H,11-17H2,1H3,(H,23,27);1H.
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-(4-phenacylpiperazin-1-yl)acetamide;hydrochloride?
N-[(4-methoxyphenyl)methyl]-2-(4-phenacylpiperazin-1-yl)acetamide;hydrochloride has a molecular weight of 417.94 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-(4-phenacylpiperazin-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 141035311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).