4-tert-butyl-N-methylpiperazine-1-carboxamide

C10H21N3O — CID 59788280

IUPAC4-tert-butyl-N-methylpiperazine-1-carboxamide
SMILESCNC(=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C10H21N3O/c1-10(2,3)13-7-5-12(6-8-13)9(14)11-4/h5-8H2,1-4H3,(H,11,14)
InChIKeyJLVDJSVGWCCLGS-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.74
Rot. Bonds

About 4-tert-butyl-N-methylpiperazine-1-carboxamide

4-tert-butyl-N-methylpiperazine-1-carboxamide (PubChem CID 59788280) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 4-tert-butyl-N-methylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-methylpiperazine-1-carboxamide
PubChem CID59788280
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name4-tert-butyl-N-methylpiperazine-1-carboxamide
SMILESCNC(=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C10H21N3O/c1-10(2,3)13-7-5-12(6-8-13)9(14)11-4/h5-8H2,1-4H3,(H,11,14)
InChIKeyJLVDJSVGWCCLGS-UHFFFAOYSA-N
XLogP0.74
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-N-propan-2-ylpiperazine-1-carboxamide
CID 113074849
1-(4-tert-butylpiperazin-1-yl)ethanone
CID 20580594
4-tert-butyl-N-(2-hydroxyethyl)piperazine-1-carboxamide
CID 58525046
azepan-1-yl-(4-tert-butylpiperazin-1-yl)methanone
CID 116654564
N-methyl-4-(2-methylpropanoyl)piperazine-1-carboxamide
CID 47127249
N,4-dimethyl-1,4-diazepane-1-carboxamide
CID 59680276
2-bromo-1-(4-tert-butylpiperazin-1-yl)ethanone
CID 63680684
ethane;N-methyl-4-propan-2-ylpiperazine-1-carboxamide
CID 143433022
4-(4-tert-butylpiperazine-1-carbonyl)piperazine-1-carboxamide
CID 90909249
4-tert-butyl-N-(2,6-diethylphenyl)piperazine-1-carboxamide
CID 113110317
1-(4-tert-butylpiperazin-1-yl)pentane-1,4-dione
CID 65416769
2-bromo-1-(4-tert-butylpiperazin-1-yl)propan-1-one
CID 107904948

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-methylpiperazine-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-methylpiperazine-1-carboxamide (CID 59788280) is 4-tert-butyl-N-methylpiperazine-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-methylpiperazine-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-methylpiperazine-1-carboxamide is CNC(=O)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-N-methylpiperazine-1-carboxamide?
The InChIKey is JLVDJSVGWCCLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-10(2,3)13-7-5-12(6-8-13)9(14)11-4/h5-8H2,1-4H3,(H,11,14).
What are the key properties of 4-tert-butyl-N-methylpiperazine-1-carboxamide?
4-tert-butyl-N-methylpiperazine-1-carboxamide has a molecular weight of 199.30 g/mol, XLogP of 0.74, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-methylpiperazine-1-carboxamide is sourced from PubChem (CID 59788280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).