N-cyclohexyl-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-methylacetamide

C17H33N3O2 — CID 111489805

IUPACN-cyclohexyl-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-methylacetamide
SMILESCCC(CO)N1CCN(CC(=O)N(C)C2CCCCC2)CC1
InChIInChI=1S/C17H33N3O2/c1-3-15(14-21)20-11-9-19(10-12-20)13-17(22)18(2)16-7-5-4-6-8-16/h15-16,21H,3-14H2,1-2H3
InChIKeyXZKNQJICIXFJGJ-UHFFFAOYSA-N
MW311.47 g/mol
LogP1.17
Rot. Bonds6

About N-cyclohexyl-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-methylacetamide

N-cyclohexyl-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-methylacetamide (PubChem CID 111489805) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-methylacetamide
PubChem CID111489805
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC NameN-cyclohexyl-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-methylacetamide
SMILESCCC(CO)N1CCN(CC(=O)N(C)C2CCCCC2)CC1
InChIInChI=1S/C17H33N3O2/c1-3-15(14-21)20-11-9-19(10-12-20)13-17(22)18(2)16-7-5-4-6-8-16/h15-16,21H,3-14H2,1-2H3
InChIKeyXZKNQJICIXFJGJ-UHFFFAOYSA-N
XLogP1.17
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclohexyl-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-methylacetamide 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-[4-(2-hydroxybutyl)piperazin-1-yl]-N-methylacetamide
CID 111106282
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
2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 111489419
N-cyclohexyl-N-methyl-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923321
2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-N-cyclopropyl-N-methylacetamide
CID 63339686
2-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-N-cyclohexyl-N-methylacetamide
CID 119876695
N-cyclohexyl-N-methyl-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide
CID 95158985
N-cyclohexyl-2-[4-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]piperazin-1-yl]-N-methylacetamide
CID 129401911
2-[4-[(2S)-2-amino-4-methylpentanoyl]piperazin-1-yl]-N-cyclohexyl-N-methylacetamide;dihydrochloride
CID 119876752
N-cyclohexyl-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 78782354
N-cyclohexyl-2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide
CID 63872577

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-methylacetamide?
The IUPAC name of N-cyclohexyl-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-methylacetamide (CID 111489805) is N-cyclohexyl-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-methylacetamide?
The canonical SMILES for N-cyclohexyl-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-methylacetamide is CCC(CO)N1CCN(CC(=O)N(C)C2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-methylacetamide?
The InChIKey is XZKNQJICIXFJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-3-15(14-21)20-11-9-19(10-12-20)13-17(22)18(2)16-7-5-4-6-8-16/h15-16,21H,3-14H2,1-2H3.
What are the key properties of N-cyclohexyl-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-methylacetamide?
N-cyclohexyl-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-methylacetamide has a molecular weight of 311.47 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 111489805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).