2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-pentan-3-ylacetamide

C14H30N4O — CID 63897251

IUPAC2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CNCC1CN(C)CCN1C
InChIInChI=1S/C14H30N4O/c1-5-12(6-2)16-14(19)10-15-9-13-11-17(3)7-8-18(13)4/h12-13,15H,5-11H2,1-4H3,(H,16,19)
InChIKeyZCYLLTWLTCGRCK-UHFFFAOYSA-N
MW270.42 g/mol
LogP0.13
Rot. Bonds7

About 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-pentan-3-ylacetamide

2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-pentan-3-ylacetamide (PubChem CID 63897251) has the molecular formula C14H30N4O and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-pentan-3-ylacetamide
PubChem CID63897251
Molecular FormulaC14H30N4O
Molecular Weight270.42 g/mol
Exact Mass270.24
IUPAC Name2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CNCC1CN(C)CCN1C
InChIInChI=1S/C14H30N4O/c1-5-12(6-2)16-14(19)10-15-9-13-11-17(3)7-8-18(13)4/h12-13,15H,5-11H2,1-4H3,(H,16,19)
InChIKeyZCYLLTWLTCGRCK-UHFFFAOYSA-N
XLogP0.13
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-pentan-3-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclopropylmethyl)-2-[(1,4-dimethylpiperazin-2-yl)methylamino]acetamide
CID 63897450
2-[(4-methylmorpholin-2-yl)methylamino]-N-pentan-3-ylacetamide
CID 78945150
butyl 2-[(1,4-dimethylpiperazin-2-yl)methylamino]acetate
CID 63896903
2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-pentan-3-ylacetamide
CID 61487173
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(methylamino)acetamide
CID 63898995
ethyl 3-[(1,4-dimethylpiperazin-2-yl)methylamino]-2-methylpropanoate
CID 63896899
2-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]butanamide
CID 63898587
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 63898158
1-(1,4-dimethylpiperazin-2-yl)-3-methylpentan-2-one
CID 115414648
N-[(1,4-dimethylpiperazin-2-yl)methyl]heptan-1-amine
CID 63899137
3-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]butanoic acid
CID 63896213
3-[(1,4-dimethylpiperazin-2-yl)methylamino]propane-1,2-diol
CID 77011342

Frequently Asked Questions

What is the IUPAC name of 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-pentan-3-ylacetamide?
The IUPAC name of 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-pentan-3-ylacetamide (CID 63897251) is 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-pentan-3-ylacetamide is CCC(CC)NC(=O)CNCC1CN(C)CCN1C.
What is the InChIKey of 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-pentan-3-ylacetamide?
The InChIKey is ZCYLLTWLTCGRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O/c1-5-12(6-2)16-14(19)10-15-9-13-11-17(3)7-8-18(13)4/h12-13,15H,5-11H2,1-4H3,(H,16,19).
What are the key properties of 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-pentan-3-ylacetamide?
2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-pentan-3-ylacetamide has a molecular weight of 270.42 g/mol, XLogP of 0.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-pentan-3-ylacetamide is sourced from PubChem (CID 63897251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).