N-tert-butyl-N-methyl-2-(4-methylpiperazin-2-yl)acetamide

C12H25N3O — CID 115178265

IUPACN-tert-butyl-N-methyl-2-(4-methylpiperazin-2-yl)acetamide
SMILESCN1CCNC(CC(=O)N(C)C(C)(C)C)C1
InChIInChI=1S/C12H25N3O/c1-12(2,3)15(5)11(16)8-10-9-14(4)7-6-13-10/h10,13H,6-9H2,1-5H3
InChIKeyRRGKBPFCTWYFBJ-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.54
Rot. Bonds2

About N-tert-butyl-N-methyl-2-(4-methylpiperazin-2-yl)acetamide

N-tert-butyl-N-methyl-2-(4-methylpiperazin-2-yl)acetamide (PubChem CID 115178265) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N-tert-butyl-N-methyl-2-(4-methylpiperazin-2-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-N-methyl-2-(4-methylpiperazin-2-yl)acetamide
PubChem CID115178265
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN-tert-butyl-N-methyl-2-(4-methylpiperazin-2-yl)acetamide
SMILESCN1CCNC(CC(=O)N(C)C(C)(C)C)C1
InChIInChI=1S/C12H25N3O/c1-12(2,3)15(5)11(16)8-10-9-14(4)7-6-13-10/h10,13H,6-9H2,1-5H3
InChIKeyRRGKBPFCTWYFBJ-UHFFFAOYSA-N
XLogP0.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohexylmethyl)-N-methyl-2-(4-methylpiperazin-2-yl)acetamide
CID 115178322
methyl-[(4-methylpiperazin-2-yl)methyl]carbamic acid
CID 130404511
N-(3,3-dimethylbutyl)-2-(4-methylpiperazin-2-yl)acetamide
CID 115178327
3-(4-methylpiperazin-2-yl)propanoic acid
CID 54495672
2-(4-methylpiperazin-2-yl)-1-phenylethanone
CID 116919993
2-(4-methylpiperazin-2-yl)-N-(1-methylpiperidin-4-yl)acetamide
CID 115178258
3-(3,3-dimethylbutyl)-1-methylpiperazine
CID 116928268
N-(2-cyclohexylethyl)-2-(4-methylpiperazin-2-yl)acetamide
CID 115178336
tert-butyl N-[2-(4-methylpiperazin-2-yl)ethyl]carbamate
CID 82386141
1-(4-methylpiperazin-2-yl)-4-(sulfanylmethoxy)butan-2-one
CID 20647923
2-(4-methylpiperazin-2-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 116920016
(3R)-3-(fluoromethyl)-1-methylpiperazine
CID 67523011

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-methyl-2-(4-methylpiperazin-2-yl)acetamide?
The IUPAC name of N-tert-butyl-N-methyl-2-(4-methylpiperazin-2-yl)acetamide (CID 115178265) is N-tert-butyl-N-methyl-2-(4-methylpiperazin-2-yl)acetamide.
What is the SMILES notation for N-tert-butyl-N-methyl-2-(4-methylpiperazin-2-yl)acetamide?
The canonical SMILES for N-tert-butyl-N-methyl-2-(4-methylpiperazin-2-yl)acetamide is CN1CCNC(CC(=O)N(C)C(C)(C)C)C1.
What is the InChIKey of N-tert-butyl-N-methyl-2-(4-methylpiperazin-2-yl)acetamide?
The InChIKey is RRGKBPFCTWYFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-12(2,3)15(5)11(16)8-10-9-14(4)7-6-13-10/h10,13H,6-9H2,1-5H3.
What are the key properties of N-tert-butyl-N-methyl-2-(4-methylpiperazin-2-yl)acetamide?
N-tert-butyl-N-methyl-2-(4-methylpiperazin-2-yl)acetamide has a molecular weight of 227.35 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-methyl-2-(4-methylpiperazin-2-yl)acetamide is sourced from PubChem (CID 115178265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).