N-(3,3-dimethylbutyl)-2-(4-methylpiperazin-2-yl)acetamide

C13H27N3O — CID 115178327

IUPACN-(3,3-dimethylbutyl)-2-(4-methylpiperazin-2-yl)acetamide
SMILESCN1CCNC(CC(=O)NCCC(C)(C)C)C1
InChIInChI=1S/C13H27N3O/c1-13(2,3)5-6-15-12(17)9-11-10-16(4)8-7-14-11/h11,14H,5-10H2,1-4H3,(H,15,17)
InChIKeyVRPZAJKGENTREZ-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.83
Rot. Bonds4

About N-(3,3-dimethylbutyl)-2-(4-methylpiperazin-2-yl)acetamide

N-(3,3-dimethylbutyl)-2-(4-methylpiperazin-2-yl)acetamide (PubChem CID 115178327) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-2-(4-methylpiperazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-2-(4-methylpiperazin-2-yl)acetamide
PubChem CID115178327
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-(3,3-dimethylbutyl)-2-(4-methylpiperazin-2-yl)acetamide
SMILESCN1CCNC(CC(=O)NCCC(C)(C)C)C1
InChIInChI=1S/C13H27N3O/c1-13(2,3)5-6-15-12(17)9-11-10-16(4)8-7-14-11/h11,14H,5-10H2,1-4H3,(H,15,17)
InChIKeyVRPZAJKGENTREZ-UHFFFAOYSA-N
XLogP0.83
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclohexylethyl)-2-(4-methylpiperazin-2-yl)acetamide
CID 115178336
2-(4-methylpiperazin-2-yl)-N-[2-(oxan-4-yl)ethyl]acetamide
CID 115178337
3-(3,3-dimethylbutyl)-1-methylpiperazine
CID 116928268
2-(4-methylpiperazin-2-yl)-N-(1-methylpiperidin-4-yl)acetamide
CID 115178258
tert-butyl N-[2-(4-methylpiperazin-2-yl)ethyl]carbamate
CID 82386141
N-tert-butyl-N-methyl-2-(4-methylpiperazin-2-yl)acetamide
CID 115178265
N-[2-(1-methylpiperidin-4-yl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 113267487
N-(3,3-dimethylbutyl)-3-methyl-3-piperazin-1-ylbutanamide
CID 115189208
N-[2-(1-methylpiperidin-4-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941640
N-[2-(3-methylpiperidin-1-yl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119851043
3-(4-methylpiperazin-2-yl)propanoic acid
CID 54495672
2-(4-methylpiperazin-2-yl)-1-phenylethanone
CID 116919993

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-2-(4-methylpiperazin-2-yl)acetamide?
The IUPAC name of N-(3,3-dimethylbutyl)-2-(4-methylpiperazin-2-yl)acetamide (CID 115178327) is N-(3,3-dimethylbutyl)-2-(4-methylpiperazin-2-yl)acetamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-2-(4-methylpiperazin-2-yl)acetamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-2-(4-methylpiperazin-2-yl)acetamide is CN1CCNC(CC(=O)NCCC(C)(C)C)C1.
What is the InChIKey of N-(3,3-dimethylbutyl)-2-(4-methylpiperazin-2-yl)acetamide?
The InChIKey is VRPZAJKGENTREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-13(2,3)5-6-15-12(17)9-11-10-16(4)8-7-14-11/h11,14H,5-10H2,1-4H3,(H,15,17).
What are the key properties of N-(3,3-dimethylbutyl)-2-(4-methylpiperazin-2-yl)acetamide?
N-(3,3-dimethylbutyl)-2-(4-methylpiperazin-2-yl)acetamide has a molecular weight of 241.38 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-2-(4-methylpiperazin-2-yl)acetamide is sourced from PubChem (CID 115178327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).