N-cyclohexyl-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride

C13H26ClN3O — CID 2959786

IUPACN-cyclohexyl-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride
SMILESCN1CCN(CC(=O)NC2CCCCC2)CC1.Cl
InChIInChI=1S/C13H25N3O.ClH/c1-15-7-9-16(10-8-15)11-13(17)14-12-5-3-2-4-6-12;/h12H,2-11H2,1H3,(H,14,17);1H
InChIKeyBWCFLHJQBKGZOS-UHFFFAOYSA-N
MW275.82 g/mol
LogP1.10
Rot. Bonds3

About N-cyclohexyl-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride

N-cyclohexyl-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride (PubChem CID 2959786) has the molecular formula C13H26ClN3O and a molecular weight of 275.82 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-cyclohexyl-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride
PubChem CID2959786
Molecular FormulaC13H26ClN3O
Molecular Weight275.82 g/mol
Exact Mass275.18
IUPAC NameN-cyclohexyl-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride
SMILESCN1CCN(CC(=O)NC2CCCCC2)CC1.Cl
InChIInChI=1S/C13H25N3O.ClH/c1-15-7-9-16(10-8-15)11-13(17)14-12-5-3-2-4-6-12;/h12H,2-11H2,1H3,(H,14,17);1H
InChIKeyBWCFLHJQBKGZOS-UHFFFAOYSA-N
XLogP1.10
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.82
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride?
The IUPAC name of N-cyclohexyl-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride (CID 2959786) is N-cyclohexyl-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-cyclohexyl-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-cyclohexyl-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride is CN1CCN(CC(=O)NC2CCCCC2)CC1.Cl.
What is the InChIKey of N-cyclohexyl-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride?
The InChIKey is BWCFLHJQBKGZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O.ClH/c1-15-7-9-16(10-8-15)11-13(17)14-12-5-3-2-4-6-12;/h12H,2-11H2,1H3,(H,14,17);1H.
What are the key properties of N-cyclohexyl-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride?
N-cyclohexyl-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride has a molecular weight of 275.82 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 2959786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).