N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(ethylamino)-2-methylpropanamide

C13H28N4O — CID 63898421

IUPACN-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(ethylamino)-2-methylpropanamide
SMILESCCNC(C)(C)C(=O)NCC1CN(C)CCN1C
InChIInChI=1S/C13H28N4O/c1-6-15-13(2,3)12(18)14-9-11-10-16(4)7-8-17(11)5/h11,15H,6-10H2,1-5H3,(H,14,18)
InChIKeyVKCBLRZXXUOATI-UHFFFAOYSA-N
MW256.39 g/mol
LogP-0.26
Rot. Bonds5

About N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(ethylamino)-2-methylpropanamide

N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(ethylamino)-2-methylpropanamide (PubChem CID 63898421) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(ethylamino)-2-methylpropanamide.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(ethylamino)-2-methylpropanamide
PubChem CID63898421
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(ethylamino)-2-methylpropanamide
SMILESCCNC(C)(C)C(=O)NCC1CN(C)CCN1C
InChIInChI=1S/C13H28N4O/c1-6-15-13(2,3)12(18)14-9-11-10-16(4)7-8-17(11)5/h11,15H,6-10H2,1-5H3,(H,14,18)
InChIKeyVKCBLRZXXUOATI-UHFFFAOYSA-N
XLogP-0.26
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-2-methyl-N-[(1-methylpiperidin-2-yl)methyl]propanamide
CID 62836518
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-hydroxy-2,3-dimethylbutanamide
CID 154789742
2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylpentanamide
CID 63896376
2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide
CID 79811012
2-cyano-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylbutanamide
CID 113270370
2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoyl-ethylamino]-2-methylpropanoic acid
CID 63897494
ethyl 2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]acetate
CID 63896961
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(methylamino)acetamide
CID 63898995
N-tert-butyl-2-[[[(1,4-dimethylpiperazin-2-yl)methylamino]-(ethylamino)methylidene]amino]acetamide;hydroiodide
CID 111831693
2-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]butanamide
CID 63898587
3-bromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]prop-2-ynamide
CID 131133952
4-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66002437

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(ethylamino)-2-methylpropanamide?
The IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(ethylamino)-2-methylpropanamide (CID 63898421) is N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(ethylamino)-2-methylpropanamide.
What is the SMILES notation for N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(ethylamino)-2-methylpropanamide?
The canonical SMILES for N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(ethylamino)-2-methylpropanamide is CCNC(C)(C)C(=O)NCC1CN(C)CCN1C.
What is the InChIKey of N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(ethylamino)-2-methylpropanamide?
The InChIKey is VKCBLRZXXUOATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O/c1-6-15-13(2,3)12(18)14-9-11-10-16(4)7-8-17(11)5/h11,15H,6-10H2,1-5H3,(H,14,18).
What are the key properties of N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(ethylamino)-2-methylpropanamide?
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(ethylamino)-2-methylpropanamide has a molecular weight of 256.39 g/mol, XLogP of -0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(ethylamino)-2-methylpropanamide is sourced from PubChem (CID 63898421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).