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

C20H31ClN4O3 — CID 120753392

IUPACN-(cyclohexylcarbamoyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
SMILESCOc1ccccc1C1CNCCN1CC(=O)NC(=O)NC1CCCCC1.Cl
InChIInChI=1S/C20H30N4O3.ClH/c1-27-18-10-6-5-9-16(18)17-13-21-11-12-24(17)14-19(25)23-20(26)22-15-7-3-2-4-8-15;/h5-6,9-10,15,17,21H,2-4,7-8,11-14H2,1H3,(H2,22,23,25,26);1H
InChIKeyPFWDRDAQOWJIKQ-UHFFFAOYSA-N
MW410.95 g/mol
LogP2.22
Rot. Bonds5

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

N-(cyclohexylcarbamoyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride (PubChem CID 120753392) has the molecular formula C20H31ClN4O3 and a molecular weight of 410.95 g/mol. Its IUPAC name is N-(cyclohexylcarbamoyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(cyclohexylcarbamoyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
PubChem CID120753392
Molecular FormulaC20H31ClN4O3
Molecular Weight410.95 g/mol
Exact Mass410.21
IUPAC NameN-(cyclohexylcarbamoyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
SMILESCOc1ccccc1C1CNCCN1CC(=O)NC(=O)NC1CCCCC1.Cl
InChIInChI=1S/C20H30N4O3.ClH/c1-27-18-10-6-5-9-16(18)17-13-21-11-12-24(17)14-19(25)23-20(26)22-15-7-3-2-4-8-15;/h5-6,9-10,15,17,21H,2-4,7-8,11-14H2,1H3,(H2,22,23,25,26);1H
InChIKeyPFWDRDAQOWJIKQ-UHFFFAOYSA-N
XLogP2.22
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.95
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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-[(2-methylcyclohexyl)carbamoyl]acetamide;hydrochloride
CID 120753909
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-(4-ethoxyphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120754009
N-[1-[2-[2-(2-methoxyphenyl)piperazin-1-yl]acetyl]piperidin-3-yl]acetamide
CID 120753617
2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide
CID 120753177
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-ethylphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753308

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylcarbamoyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-(cyclohexylcarbamoyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride (CID 120753392) is N-(cyclohexylcarbamoyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(cyclohexylcarbamoyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-(cyclohexylcarbamoyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride is COc1ccccc1C1CNCCN1CC(=O)NC(=O)NC1CCCCC1.Cl.
What is the InChIKey of N-(cyclohexylcarbamoyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride?
The InChIKey is PFWDRDAQOWJIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3.ClH/c1-27-18-10-6-5-9-16(18)17-13-21-11-12-24(17)14-19(25)23-20(26)22-15-7-3-2-4-8-15;/h5-6,9-10,15,17,21H,2-4,7-8,11-14H2,1H3,(H2,22,23,25,26);1H.
What are the key properties of N-(cyclohexylcarbamoyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride?
N-(cyclohexylcarbamoyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride has a molecular weight of 410.95 g/mol, XLogP of 2.22, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylcarbamoyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 120753392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).