4-[(2S)-2-amino-3-methylbutanoyl]-N,N-dimethylpiperazine-1-carboxamide

C12H24N4O2 — CID 61163225

IUPAC4-[(2S)-2-amino-3-methylbutanoyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCC(C)[C@H](N)C(=O)N1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C12H24N4O2/c1-9(2)10(13)11(17)15-5-7-16(8-6-15)12(18)14(3)4/h9-10H,5-8,13H2,1-4H3/t10-/m0/s1
InChIKeyBMUPKNRHQBSTAK-JTQLQIEISA-N
MW256.35 g/mol
LogP-0.20
Rot. Bonds2

About 4-[(2S)-2-amino-3-methylbutanoyl]-N,N-dimethylpiperazine-1-carboxamide

4-[(2S)-2-amino-3-methylbutanoyl]-N,N-dimethylpiperazine-1-carboxamide (PubChem CID 61163225) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-[(2S)-2-amino-3-methylbutanoyl]-N,N-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(2S)-2-amino-3-methylbutanoyl]-N,N-dimethylpiperazine-1-carboxamide
PubChem CID61163225
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC Name4-[(2S)-2-amino-3-methylbutanoyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCC(C)[C@H](N)C(=O)N1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C12H24N4O2/c1-9(2)10(13)11(17)15-5-7-16(8-6-15)12(18)14(3)4/h9-10H,5-8,13H2,1-4H3/t10-/m0/s1
InChIKeyBMUPKNRHQBSTAK-JTQLQIEISA-N
XLogP-0.20
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-amino-3-methylbutanoyl]-N,N-dimethylpiperazine-1-carboxamide?
The IUPAC name of 4-[(2S)-2-amino-3-methylbutanoyl]-N,N-dimethylpiperazine-1-carboxamide (CID 61163225) is 4-[(2S)-2-amino-3-methylbutanoyl]-N,N-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[(2S)-2-amino-3-methylbutanoyl]-N,N-dimethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[(2S)-2-amino-3-methylbutanoyl]-N,N-dimethylpiperazine-1-carboxamide is CC(C)[C@H](N)C(=O)N1CCN(C(=O)N(C)C)CC1.
What is the InChIKey of 4-[(2S)-2-amino-3-methylbutanoyl]-N,N-dimethylpiperazine-1-carboxamide?
The InChIKey is BMUPKNRHQBSTAK-JTQLQIEISA-N. The full InChI is InChI=1S/C12H24N4O2/c1-9(2)10(13)11(17)15-5-7-16(8-6-15)12(18)14(3)4/h9-10H,5-8,13H2,1-4H3/t10-/m0/s1.
What are the key properties of 4-[(2S)-2-amino-3-methylbutanoyl]-N,N-dimethylpiperazine-1-carboxamide?
4-[(2S)-2-amino-3-methylbutanoyl]-N,N-dimethylpiperazine-1-carboxamide has a molecular weight of 256.35 g/mol, XLogP of -0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-amino-3-methylbutanoyl]-N,N-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 61163225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).