2-cyano-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylbutanamide

C13H24N4O — CID 113270370

IUPAC2-cyano-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylbutanamide
SMILESCCC(C)(C#N)C(=O)NCC1CN(C)CCN1C
InChIInChI=1S/C13H24N4O/c1-5-13(2,10-14)12(18)15-8-11-9-16(3)6-7-17(11)4/h11H,5-9H2,1-4H3,(H,15,18)
InChIKeyOCCGFTYYOBLBIM-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.29
Rot. Bonds4

About 2-cyano-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylbutanamide

2-cyano-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylbutanamide (PubChem CID 113270370) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-cyano-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylbutanamide.

Molecular Properties

Compound Name2-cyano-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylbutanamide
PubChem CID113270370
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-cyano-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylbutanamide
SMILESCCC(C)(C#N)C(=O)NCC1CN(C)CCN1C
InChIInChI=1S/C13H24N4O/c1-5-13(2,10-14)12(18)15-8-11-9-16(3)6-7-17(11)4/h11H,5-9H2,1-4H3,(H,15,18)
InChIKeyOCCGFTYYOBLBIM-UHFFFAOYSA-N
XLogP0.29
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(ethylamino)-2-methylpropanamide
CID 63898421
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-cyano-N-[(3-hydroxycyclobutyl)methyl]-2-methylbutanamide
CID 114291632
2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide
CID 79811012
(2R)-2-cyano-N-(cycloheptylmethyl)-2-methylbutanamide
CID 164637874
3-bromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]prop-2-ynamide
CID 131133952
2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoyl-ethylamino]-2-methylpropanoic acid
CID 63897494
ethyl 2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]acetate
CID 63896961
2-cyano-2-methyl-N-(thiolan-3-ylmethyl)butanamide
CID 107296190
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(methylamino)acetamide
CID 63898995
4-[(1,4-dimethylpiperazin-2-yl)methylamino]-2,2-dimethylbutanenitrile
CID 65253055

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylbutanamide?
The IUPAC name of 2-cyano-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylbutanamide (CID 113270370) is 2-cyano-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylbutanamide.
What is the SMILES notation for 2-cyano-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylbutanamide?
The canonical SMILES for 2-cyano-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylbutanamide is CCC(C)(C#N)C(=O)NCC1CN(C)CCN1C.
What is the InChIKey of 2-cyano-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylbutanamide?
The InChIKey is OCCGFTYYOBLBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-13(2,10-14)12(18)15-8-11-9-16(3)6-7-17(11)4/h11H,5-9H2,1-4H3,(H,15,18).
What are the key properties of 2-cyano-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylbutanamide?
2-cyano-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylbutanamide has a molecular weight of 252.36 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylbutanamide is sourced from PubChem (CID 113270370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).