2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide;hydrochloride

C21H33ClN4O3 — CID 120753909

IUPAC2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide;hydrochloride
SMILESCOc1ccccc1C1CNCCN1CC(=O)NC(=O)NC1CCCCC1C.Cl
InChIInChI=1S/C21H32N4O3.ClH/c1-15-7-3-5-9-17(15)23-21(27)24-20(26)14-25-12-11-22-13-18(25)16-8-4-6-10-19(16)28-2;/h4,6,8,10,15,17-18,22H,3,5,7,9,11-14H2,1-2H3,(H2,23,24,26,27);1H
InChIKeyZSBDOAOURFOKMO-UHFFFAOYSA-N
MW424.97 g/mol
LogP2.47
Rot. Bonds5

About 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide;hydrochloride

2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide;hydrochloride (PubChem CID 120753909) has the molecular formula C21H33ClN4O3 and a molecular weight of 424.97 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide;hydrochloride
PubChem CID120753909
Molecular FormulaC21H33ClN4O3
Molecular Weight424.97 g/mol
Exact Mass424.22
IUPAC Name2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide;hydrochloride
SMILESCOc1ccccc1C1CNCCN1CC(=O)NC(=O)NC1CCCCC1C.Cl
InChIInChI=1S/C21H32N4O3.ClH/c1-15-7-3-5-9-17(15)23-21(27)24-20(26)14-25-12-11-22-13-18(25)16-8-4-6-10-19(16)28-2;/h4,6,8,10,15,17-18,22H,3,5,7,9,11-14H2,1-2H3,(H2,23,24,26,27);1H
InChIKeyZSBDOAOURFOKMO-UHFFFAOYSA-N
XLogP2.47
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.97
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclohexylcarbamoyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753392
N-(cyclopropylcarbamoyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753652
N-cyclopentyl-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753414
2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide
CID 120753930
2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(oxan-4-yl)acetamide
CID 120753451
N-benzyl-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753744
N-(3,5-difluorophenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753312
N-(4-chlorophenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120754003
N-(4-ethoxyphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120754009
N-(4-ethylphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753308
2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide;hydrochloride
CID 120753875
2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide
CID 120753177

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide;hydrochloride?
The IUPAC name of 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide;hydrochloride (CID 120753909) is 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide;hydrochloride.
What is the SMILES notation for 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide;hydrochloride?
The canonical SMILES for 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide;hydrochloride is COc1ccccc1C1CNCCN1CC(=O)NC(=O)NC1CCCCC1C.Cl.
What is the InChIKey of 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide;hydrochloride?
The InChIKey is ZSBDOAOURFOKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3.ClH/c1-15-7-3-5-9-17(15)23-21(27)24-20(26)14-25-12-11-22-13-18(25)16-8-4-6-10-19(16)28-2;/h4,6,8,10,15,17-18,22H,3,5,7,9,11-14H2,1-2H3,(H2,23,24,26,27);1H.
What are the key properties of 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide;hydrochloride?
2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide;hydrochloride has a molecular weight of 424.97 g/mol, XLogP of 2.47, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide;hydrochloride is sourced from PubChem (CID 120753909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).