2,2-dimethyl-N-(4-methylpiperazin-1-yl)propanamide

C10H21N3O — CID 4654572

IUPAC2,2-dimethyl-N-(4-methylpiperazin-1-yl)propanamide
SMILESCN1CCN(NC(=O)C(C)(C)C)CC1
InChIInChI=1S/C10H21N3O/c1-10(2,3)9(14)11-13-7-5-12(4)6-8-13/h5-8H2,1-4H3,(H,11,14)
InChIKeyBUIMDHSAKNWDCP-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.31
Rot. Bonds1

About 2,2-dimethyl-N-(4-methylpiperazin-1-yl)propanamide

2,2-dimethyl-N-(4-methylpiperazin-1-yl)propanamide (PubChem CID 4654572) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2,2-dimethyl-N-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(4-methylpiperazin-1-yl)propanamide
PubChem CID4654572
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2,2-dimethyl-N-(4-methylpiperazin-1-yl)propanamide
SMILESCN1CCN(NC(=O)C(C)(C)C)CC1
InChIInChI=1S/C10H21N3O/c1-10(2,3)9(14)11-13-7-5-12(4)6-8-13/h5-8H2,1-4H3,(H,11,14)
InChIKeyBUIMDHSAKNWDCP-UHFFFAOYSA-N
XLogP0.31
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(4-methylpiperazin-1-yl)propanamide (CID 4654572) is 2,2-dimethyl-N-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(4-methylpiperazin-1-yl)propanamide is CN1CCN(NC(=O)C(C)(C)C)CC1.
What is the InChIKey of 2,2-dimethyl-N-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is BUIMDHSAKNWDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-10(2,3)9(14)11-13-7-5-12(4)6-8-13/h5-8H2,1-4H3,(H,11,14).
What are the key properties of 2,2-dimethyl-N-(4-methylpiperazin-1-yl)propanamide?
2,2-dimethyl-N-(4-methylpiperazin-1-yl)propanamide has a molecular weight of 199.30 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 4654572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).