2-(4-methylpiperazin-1-yl)-N,N-di(propan-2-yl)propanamide

C14H29N3O — CID 3229464

IUPAC2-(4-methylpiperazin-1-yl)-N,N-di(propan-2-yl)propanamide
SMILESCC(C(=O)N(C(C)C)C(C)C)N1CCN(C)CC1
InChIInChI=1S/C14H29N3O/c1-11(2)17(12(3)4)14(18)13(5)16-9-7-15(6)8-10-16/h11-13H,7-10H2,1-6H3
InChIKeyOSMSMJMDMSZFOZ-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.27
Rot. Bonds4

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

2-(4-methylpiperazin-1-yl)-N,N-di(propan-2-yl)propanamide (PubChem CID 3229464) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N,N-di(propan-2-yl)propanamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N,N-di(propan-2-yl)propanamide
PubChem CID3229464
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-(4-methylpiperazin-1-yl)-N,N-di(propan-2-yl)propanamide
SMILESCC(C(=O)N(C(C)C)C(C)C)N1CCN(C)CC1
InChIInChI=1S/C14H29N3O/c1-11(2)17(12(3)4)14(18)13(5)16-9-7-15(6)8-10-16/h11-13H,7-10H2,1-6H3
InChIKeyOSMSMJMDMSZFOZ-UHFFFAOYSA-N
XLogP1.27
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-Dipropionylpiperazine
CID 95171
Piperazine, 4-methyl-1-propionyl-
CID 114361
N-cyclopentyl-2-(4-ethyl-3-methylpiperazin-1-yl)-N-methylacetamide
CID 49853577
1-(3,4,5-Trimethylpiperazin-1-yl)propan-1-one
CID 107241
1-(2,4,6-Trimethylpiperazin-1-yl)propan-1-one
CID 107242
N-butyl-2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-N-propylacetamide
CID 49853581
1-(4-Ethylpiperazin-1-yl)-2,2-dimethylpropan-1-one
CID 4570352
1-(4-Acetylpiperazin-1-yl)propan-1-one
CID 22956481
N-(pentan-3-yl)-2-(4-propanoylpiperazin-1-yl)acetamide
CID 49853777
1-(3-Methyl-4-propanoylpiperazin-1-yl)propan-1-one
CID 20252264
US10214537, Example 168
CID 117005151
1-(2,2,4,6-Tetramethylpiperazin-1-yl)propan-1-one
CID 107238

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N,N-di(propan-2-yl)propanamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N,N-di(propan-2-yl)propanamide (CID 3229464) is 2-(4-methylpiperazin-1-yl)-N,N-di(propan-2-yl)propanamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N,N-di(propan-2-yl)propanamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N,N-di(propan-2-yl)propanamide is CC(C(=O)N(C(C)C)C(C)C)N1CCN(C)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N,N-di(propan-2-yl)propanamide?
The InChIKey is OSMSMJMDMSZFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-11(2)17(12(3)4)14(18)13(5)16-9-7-15(6)8-10-16/h11-13H,7-10H2,1-6H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-N,N-di(propan-2-yl)propanamide?
2-(4-methylpiperazin-1-yl)-N,N-di(propan-2-yl)propanamide has a molecular weight of 255.41 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N,N-di(propan-2-yl)propanamide is sourced from PubChem (CID 3229464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).