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

C17H32N4O2 — CID 119876695

IUPAC2-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-N-cyclohexyl-N-methylacetamide
SMILESCN(C(=O)CN1CCN(C(=O)C(C)(C)N)CC1)C1CCCCC1
InChIInChI=1S/C17H32N4O2/c1-17(2,18)16(23)21-11-9-20(10-12-21)13-15(22)19(3)14-7-5-4-6-8-14/h14H,4-13,18H2,1-3H3
InChIKeyCOZVQGOOZKNCFA-UHFFFAOYSA-N
MW324.47 g/mol
LogP0.66
Rot. Bonds4

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

2-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-N-cyclohexyl-N-methylacetamide (PubChem CID 119876695) has the molecular formula C17H32N4O2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 2-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-N-cyclohexyl-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-N-cyclohexyl-N-methylacetamide
PubChem CID119876695
Molecular FormulaC17H32N4O2
Molecular Weight324.47 g/mol
Exact Mass324.25
IUPAC Name2-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-N-cyclohexyl-N-methylacetamide
SMILESCN(C(=O)CN1CCN(C(=O)C(C)(C)N)CC1)C1CCCCC1
InChIInChI=1S/C17H32N4O2/c1-17(2,18)16(23)21-11-9-20(10-12-21)13-15(22)19(3)14-7-5-4-6-8-14/h14H,4-13,18H2,1-3H3
InChIKeyCOZVQGOOZKNCFA-UHFFFAOYSA-N
XLogP0.66
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-N-cyclohexyl-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

2-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid
CID 43521865
2-[4-[(2S)-2-amino-4-methylpentanoyl]piperazin-1-yl]-N-cyclohexyl-N-methylacetamide;dihydrochloride
CID 119876752
N-cyclohexyl-N-methyl-2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]acetamide
CID 119876689
N-cyclopentyl-N-methyl-2-piperazin-1-ylacetamide
CID 43267406
N-cyclohexyl-N-methyl-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923321
N-cyclohexyl-2-[4-(2-hydroxybutyl)piperazin-1-yl]-N-methylacetamide
CID 111106282
N-cyclohexyl-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-methylacetamide
CID 111489805
2-amino-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-methylpropan-1-one
CID 119836690
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
N-cyclohexyl-N-methyl-2-(3-methylpiperazin-1-yl)acetamide
CID 65448637
N-cyclohexyl-N-methyl-2-[4-[(3R)-2-oxooxolan-3-yl]piperazin-1-yl]acetamide
CID 95298972

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-N-cyclohexyl-N-methylacetamide?
The IUPAC name of 2-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-N-cyclohexyl-N-methylacetamide (CID 119876695) is 2-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-N-cyclohexyl-N-methylacetamide.
What is the SMILES notation for 2-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-N-cyclohexyl-N-methylacetamide?
The canonical SMILES for 2-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-N-cyclohexyl-N-methylacetamide is CN(C(=O)CN1CCN(C(=O)C(C)(C)N)CC1)C1CCCCC1.
What is the InChIKey of 2-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-N-cyclohexyl-N-methylacetamide?
The InChIKey is COZVQGOOZKNCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2/c1-17(2,18)16(23)21-11-9-20(10-12-21)13-15(22)19(3)14-7-5-4-6-8-14/h14H,4-13,18H2,1-3H3.
What are the key properties of 2-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-N-cyclohexyl-N-methylacetamide?
2-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-N-cyclohexyl-N-methylacetamide has a molecular weight of 324.47 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-N-cyclohexyl-N-methylacetamide is sourced from PubChem (CID 119876695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).