2-(3,5-dimethylpiperazin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide;hydrochloride

C16H32ClN3O — CID 119924043

IUPAC2-(3,5-dimethylpiperazin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide;hydrochloride
SMILESCC1CCC(N(C)C(=O)CN2CC(C)NC(C)C2)CC1.Cl
InChIInChI=1S/C16H31N3O.ClH/c1-12-5-7-15(8-6-12)18(4)16(20)11-19-9-13(2)17-14(3)10-19;/h12-15,17H,5-11H2,1-4H3;1H
InChIKeyDAOYTPQOHBWANW-UHFFFAOYSA-N
MW317.91 g/mol
LogP2.13
Rot. Bonds3

About 2-(3,5-dimethylpiperazin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide;hydrochloride

2-(3,5-dimethylpiperazin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide;hydrochloride (PubChem CID 119924043) has the molecular formula C16H32ClN3O and a molecular weight of 317.91 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperazin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(3,5-dimethylpiperazin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide;hydrochloride
PubChem CID119924043
Molecular FormulaC16H32ClN3O
Molecular Weight317.91 g/mol
Exact Mass317.22
IUPAC Name2-(3,5-dimethylpiperazin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide;hydrochloride
SMILESCC1CCC(N(C)C(=O)CN2CC(C)NC(C)C2)CC1.Cl
InChIInChI=1S/C16H31N3O.ClH/c1-12-5-7-15(8-6-12)18(4)16(20)11-19-9-13(2)17-14(3)10-19;/h12-15,17H,5-11H2,1-4H3;1H
InChIKeyDAOYTPQOHBWANW-UHFFFAOYSA-N
XLogP2.13
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.91
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3,5-dimethylpiperazin-1-yl)-N-methyl-N-(4-methylcyclohexyl)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-cyclohexyl-2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide
CID 63872577
2-(3,5-dimethylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 63874286
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 78963930
2-(3-aminoazetidin-1-yl)-N-cyclopropyl-N-methylacetamide
CID 63760735
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide;hydrochloride
CID 119926559
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 115966781
N-cyclohexyl-N-methyl-2-(3-methylpiperazin-1-yl)acetamide
CID 65448637
2-[1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64617338
N-methyl-N-(4-methylcyclohexyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide
CID 55409131
2-iodo-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 64786622
3-amino-1-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 107324628
N-methyl-N-(4-methylcyclohexyl)-3-oxobutanamide
CID 18073230

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperazin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide;hydrochloride?
The IUPAC name of 2-(3,5-dimethylpiperazin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide;hydrochloride (CID 119924043) is 2-(3,5-dimethylpiperazin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(3,5-dimethylpiperazin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide;hydrochloride?
The canonical SMILES for 2-(3,5-dimethylpiperazin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide;hydrochloride is CC1CCC(N(C)C(=O)CN2CC(C)NC(C)C2)CC1.Cl.
What is the InChIKey of 2-(3,5-dimethylpiperazin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide;hydrochloride?
The InChIKey is DAOYTPQOHBWANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O.ClH/c1-12-5-7-15(8-6-12)18(4)16(20)11-19-9-13(2)17-14(3)10-19;/h12-15,17H,5-11H2,1-4H3;1H.
What are the key properties of 2-(3,5-dimethylpiperazin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide;hydrochloride?
2-(3,5-dimethylpiperazin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide;hydrochloride has a molecular weight of 317.91 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperazin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide;hydrochloride is sourced from PubChem (CID 119924043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).