1,4-dimethylpiperazine;2-methyl-N-(2-methylpropyl)propanamide

C14H31N3O — CID 163271677

IUPAC1,4-dimethylpiperazine;2-methyl-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)C.CN1CCN(C)CC1
InChIInChI=1S/C8H17NO.C6H14N2/c1-6(2)5-9-8(10)7(3)4;1-7-3-5-8(2)6-4-7/h6-7H,5H2,1-4H3,(H,9,10);3-6H2,1-2H3
InChIKeyUYJCHBUOZYYTKW-UHFFFAOYSA-N
MW257.42 g/mol
LogP1.28
Rot. Bonds3

About 1,4-dimethylpiperazine;2-methyl-N-(2-methylpropyl)propanamide

1,4-dimethylpiperazine;2-methyl-N-(2-methylpropyl)propanamide (PubChem CID 163271677) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 1,4-dimethylpiperazine;2-methyl-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name1,4-dimethylpiperazine;2-methyl-N-(2-methylpropyl)propanamide
PubChem CID163271677
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name1,4-dimethylpiperazine;2-methyl-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)C.CN1CCN(C)CC1
InChIInChI=1S/C8H17NO.C6H14N2/c1-6(2)5-9-8(10)7(3)4;1-7-3-5-8(2)6-4-7/h6-7H,5H2,1-4H3,(H,9,10);3-6H2,1-2H3
InChIKeyUYJCHBUOZYYTKW-UHFFFAOYSA-N
XLogP1.28
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-dimethylpiperidine;2-methyl-N-(2-methylpropyl)propanamide
CID 163271115
ethane;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 178091821
2-methyl-N-(2-methylpropyl)propanamide;molecular hydrogen;oxolane
CID 169251481
(2S)-2-amino-4-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]pentanamide
CID 119902872
2,3-dibromo-N-(2-methylpropyl)propanamide
CID 21396704
2-methyl-N-[(2S)-4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]propanamide
CID 110285648
1-(4-methylpiperazine-1-carbonyl)-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 108971184
1-(1,4-dimethylpiperidin-4-yl)-3-(2-methylpropyl)urea
CID 134434403
2-methyl-N-[3-methyl-1-(4-methylpiperazin-1-yl)butan-2-yl]propanamide
CID 163271288
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-2-methylpropanamide
CID 7497230
1-methyl-4-[(4-methylpiperazin-1-yl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 134434989
3-[(2-methylpropanoylamino)methyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 71840428

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperazine;2-methyl-N-(2-methylpropyl)propanamide?
The IUPAC name of 1,4-dimethylpiperazine;2-methyl-N-(2-methylpropyl)propanamide (CID 163271677) is 1,4-dimethylpiperazine;2-methyl-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 1,4-dimethylpiperazine;2-methyl-N-(2-methylpropyl)propanamide?
The canonical SMILES for 1,4-dimethylpiperazine;2-methyl-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)C.CN1CCN(C)CC1.
What is the InChIKey of 1,4-dimethylpiperazine;2-methyl-N-(2-methylpropyl)propanamide?
The InChIKey is UYJCHBUOZYYTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.C6H14N2/c1-6(2)5-9-8(10)7(3)4;1-7-3-5-8(2)6-4-7/h6-7H,5H2,1-4H3,(H,9,10);3-6H2,1-2H3.
What are the key properties of 1,4-dimethylpiperazine;2-methyl-N-(2-methylpropyl)propanamide?
1,4-dimethylpiperazine;2-methyl-N-(2-methylpropyl)propanamide has a molecular weight of 257.42 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperazine;2-methyl-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 163271677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).