N-(cyclohexylmethyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide;hydrochloride

C21H34ClN3O — CID 6603681

IUPACN-(cyclohexylmethyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide;hydrochloride
SMILESCc1cccc(N2CCN(CC(=O)NCC3CCCCC3)CC2)c1C.Cl
InChIInChI=1S/C21H33N3O.ClH/c1-17-7-6-10-20(18(17)2)24-13-11-23(12-14-24)16-21(25)22-15-19-8-4-3-5-9-19;/h6-7,10,19H,3-5,8-9,11-16H2,1-2H3,(H,22,25);1H
InChIKeyZQCZMTDTCFXYFH-UHFFFAOYSA-N
MW379.98 g/mol
LogP3.54
Rot. Bonds5

About N-(cyclohexylmethyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide;hydrochloride

N-(cyclohexylmethyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide;hydrochloride (PubChem CID 6603681) has the molecular formula C21H34ClN3O and a molecular weight of 379.98 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide;hydrochloride
PubChem CID6603681
Molecular FormulaC21H34ClN3O
Molecular Weight379.98 g/mol
Exact Mass379.24
IUPAC NameN-(cyclohexylmethyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide;hydrochloride
SMILESCc1cccc(N2CCN(CC(=O)NCC3CCCCC3)CC2)c1C.Cl
InChIInChI=1S/C21H33N3O.ClH/c1-17-7-6-10-20(18(17)2)24-13-11-23(12-14-24)16-21(25)22-15-19-8-4-3-5-9-19;/h6-7,10,19H,3-5,8-9,11-16H2,1-2H3,(H,22,25);1H
InChIKeyZQCZMTDTCFXYFH-UHFFFAOYSA-N
XLogP3.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.98
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-(cyclohexylmethyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide;hydrochloride (CID 6603681) is N-(cyclohexylmethyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(cyclohexylmethyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-(cyclohexylmethyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide;hydrochloride is Cc1cccc(N2CCN(CC(=O)NCC3CCCCC3)CC2)c1C.Cl.
What is the InChIKey of N-(cyclohexylmethyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide;hydrochloride?
The InChIKey is ZQCZMTDTCFXYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O.ClH/c1-17-7-6-10-20(18(17)2)24-13-11-23(12-14-24)16-21(25)22-15-19-8-4-3-5-9-19;/h6-7,10,19H,3-5,8-9,11-16H2,1-2H3,(H,22,25);1H.
What are the key properties of N-(cyclohexylmethyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide;hydrochloride?
N-(cyclohexylmethyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide;hydrochloride has a molecular weight of 379.98 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 6603681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).