N-cyclohexyl-2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide

C15H29N3O — CID 63872577

IUPACN-cyclohexyl-2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide
SMILESCC1CN(CC(=O)N(C)C2CCCCC2)CC(C)N1
InChIInChI=1S/C15H29N3O/c1-12-9-18(10-13(2)16-12)11-15(19)17(3)14-7-5-4-6-8-14/h12-14,16H,4-11H2,1-3H3
InChIKeyXPKXEYTYOFRZRK-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.46
Rot. Bonds3

About N-cyclohexyl-2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide

N-cyclohexyl-2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide (PubChem CID 63872577) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-cyclohexyl-2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide
PubChem CID63872577
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-cyclohexyl-2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide
SMILESCC1CN(CC(=O)N(C)C2CCCCC2)CC(C)N1
InChIInChI=1S/C15H29N3O/c1-12-9-18(10-13(2)16-12)11-15(19)17(3)14-7-5-4-6-8-14/h12-14,16H,4-11H2,1-3H3
InChIKeyXPKXEYTYOFRZRK-UHFFFAOYSA-N
XLogP1.46
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethylpiperazin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide;hydrochloride
CID 119924043
N-cyclohexyl-N-methyl-2-(3-methylpiperazin-1-yl)acetamide
CID 65448637
2-(3,5-dimethylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 63874286
N-cyclohexyl-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-methylacetamide
CID 81490380
2-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid
CID 43521865
N-cyclopentyl-N-methyl-2-piperazin-1-ylacetamide
CID 43267406
N-cyclohexyl-N-methyl-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923321
2-(3-aminoazetidin-1-yl)-N-cyclopropyl-N-methylacetamide
CID 63760735
N-cycloheptyl-2-(3,5-dimethylpiperazin-1-yl)acetamide;hydrochloride
CID 119924112
N-cyclohexyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-methylacetamide
CID 113249858
N-cycloheptyl-2-hydroxy-N-methylacetamide
CID 130678772
2-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-3-yl]acetic acid
CID 62690107

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide?
The IUPAC name of N-cyclohexyl-2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide (CID 63872577) is N-cyclohexyl-2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide.
What is the SMILES notation for N-cyclohexyl-2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide?
The canonical SMILES for N-cyclohexyl-2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide is CC1CN(CC(=O)N(C)C2CCCCC2)CC(C)N1.
What is the InChIKey of N-cyclohexyl-2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide?
The InChIKey is XPKXEYTYOFRZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-12-9-18(10-13(2)16-12)11-15(19)17(3)14-7-5-4-6-8-14/h12-14,16H,4-11H2,1-3H3.
What are the key properties of N-cyclohexyl-2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide?
N-cyclohexyl-2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide has a molecular weight of 267.42 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide is sourced from PubChem (CID 63872577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).