5-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methylpentanamide

C13H28N4O — CID 82688861

IUPAC5-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methylpentanamide
SMILESCC(CN)CCC(=O)NCC1CN(C)CCN1C
InChIInChI=1S/C13H28N4O/c1-11(8-14)4-5-13(18)15-9-12-10-16(2)6-7-17(12)3/h11-12H,4-10,14H2,1-3H3,(H,15,18)
InChIKeyNIANAGFVAHTQKZ-UHFFFAOYSA-N
MW256.39 g/mol
LogP-0.28
Rot. Bonds6

About 5-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methylpentanamide

5-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methylpentanamide (PubChem CID 82688861) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is 5-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methylpentanamide
PubChem CID82688861
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC Name5-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methylpentanamide
SMILESCC(CN)CCC(=O)NCC1CN(C)CCN1C
InChIInChI=1S/C13H28N4O/c1-11(8-14)4-5-13(18)15-9-12-10-16(2)6-7-17(12)3/h11-12H,4-10,14H2,1-3H3,(H,15,18)
InChIKeyNIANAGFVAHTQKZ-UHFFFAOYSA-N
XLogP-0.28
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]hexanamide
CID 63898805
2-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]butanamide
CID 63898587
5-bromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]pentanamide
CID 107910113
2-[4-(aminomethyl)cyclohexyl]-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide
CID 63899028
3-(cyclopropylamino)-N-[(1,4-dimethylpiperazin-2-yl)methyl]propanamide
CID 63896562
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(methylamino)acetamide
CID 63898995
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-hydroxy-2,3-dimethylbutanamide
CID 154789742
2-(cyclopropylamino)-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide
CID 63896375
2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide
CID 79811012
N-(cyclopropylmethyl)-2-[(1,4-dimethylpiperazin-2-yl)methylamino]acetamide
CID 63897450
5-amino-4-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentanamide
CID 82012149
3-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]butanoic acid
CID 63896213

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methylpentanamide?
The IUPAC name of 5-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methylpentanamide (CID 82688861) is 5-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methylpentanamide.
What is the SMILES notation for 5-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methylpentanamide?
The canonical SMILES for 5-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methylpentanamide is CC(CN)CCC(=O)NCC1CN(C)CCN1C.
What is the InChIKey of 5-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methylpentanamide?
The InChIKey is NIANAGFVAHTQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O/c1-11(8-14)4-5-13(18)15-9-12-10-16(2)6-7-17(12)3/h11-12H,4-10,14H2,1-3H3,(H,15,18).
What are the key properties of 5-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methylpentanamide?
5-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methylpentanamide has a molecular weight of 256.39 g/mol, XLogP of -0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methylpentanamide is sourced from PubChem (CID 82688861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).