3,3-dimethyl-N-(4-methylpiperazin-1-yl)butanamide

C11H23N3O — CID 2970758

IUPAC3,3-dimethyl-N-(4-methylpiperazin-1-yl)butanamide
SMILESCN1CCN(NC(=O)CC(C)(C)C)CC1
InChIInChI=1S/C11H23N3O/c1-11(2,3)9-10(15)12-14-7-5-13(4)6-8-14/h5-9H2,1-4H3,(H,12,15)
InChIKeyJQMDWIRYDJGZHR-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.70
Rot. Bonds2

About 3,3-dimethyl-N-(4-methylpiperazin-1-yl)butanamide

3,3-dimethyl-N-(4-methylpiperazin-1-yl)butanamide (PubChem CID 2970758) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 3,3-dimethyl-N-(4-methylpiperazin-1-yl)butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(4-methylpiperazin-1-yl)butanamide
PubChem CID2970758
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name3,3-dimethyl-N-(4-methylpiperazin-1-yl)butanamide
SMILESCN1CCN(NC(=O)CC(C)(C)C)CC1
InChIInChI=1S/C11H23N3O/c1-11(2,3)9-10(15)12-14-7-5-13(4)6-8-14/h5-9H2,1-4H3,(H,12,15)
InChIKeyJQMDWIRYDJGZHR-UHFFFAOYSA-N
XLogP0.70
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylpiperazin-1-yl)cyclopropanecarboxamide
CID 567398
2-methyl-N-(4-methylpiperazin-1-yl)propanamide
CID 3331812
3-methyl-N-(4-methylpiperazin-1-yl)butanamide
CID 4118578
N-(4-methylpiperazin-1-yl)butanamide
CID 4129194
2,2-dimethyl-N-(4-methylpiperazin-1-yl)propanamide
CID 4654572
N-(4-methylpiperazin-1-yl)propanamide
CID 5054390
N-(4-methylpiperazin-1-yl)pentanamide
CID 5147663
N-piperazin-1-ylbutanamide
CID 54039259
2,2-dimethyl-N-piperazin-1-ylpropanamide
CID 54294992
1-[4-(Tert-butylamino)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 124101339
3-methyl-N-piperazin-1-ylbutanamide
CID 126578161
3,3-Dimethyl-1-[4-(methylamino)piperazin-1-yl]butan-1-one
CID 130469203

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(4-methylpiperazin-1-yl)butanamide?
The IUPAC name of 3,3-dimethyl-N-(4-methylpiperazin-1-yl)butanamide (CID 2970758) is 3,3-dimethyl-N-(4-methylpiperazin-1-yl)butanamide.
What is the SMILES notation for 3,3-dimethyl-N-(4-methylpiperazin-1-yl)butanamide?
The canonical SMILES for 3,3-dimethyl-N-(4-methylpiperazin-1-yl)butanamide is CN1CCN(NC(=O)CC(C)(C)C)CC1.
What is the InChIKey of 3,3-dimethyl-N-(4-methylpiperazin-1-yl)butanamide?
The InChIKey is JQMDWIRYDJGZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-11(2,3)9-10(15)12-14-7-5-13(4)6-8-14/h5-9H2,1-4H3,(H,12,15).
What are the key properties of 3,3-dimethyl-N-(4-methylpiperazin-1-yl)butanamide?
3,3-dimethyl-N-(4-methylpiperazin-1-yl)butanamide has a molecular weight of 213.32 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(4-methylpiperazin-1-yl)butanamide is sourced from PubChem (CID 2970758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).