1,4-dimethyl-N-[(2S)-1-methyliminobutan-2-yl]piperazine-2-carboxamide

C12H24N4O — CID 59124506

IUPAC1,4-dimethyl-N-[(2S)-1-methyliminobutan-2-yl]piperazine-2-carboxamide
SMILESCC[C@@H](/C=N/C)NC(=O)C1CN(C)CCN1C
InChIInChI=1S/C12H24N4O/c1-5-10(8-13-2)14-12(17)11-9-15(3)6-7-16(11)4/h8,10-11H,5-7,9H2,1-4H3,(H,14,17)/b13-8+/t10-,11?/m0/s1
InChIKeyVJWNQFLGMGAKNC-NEHSMIRVSA-N
MW240.35 g/mol
LogP-0.17
Rot. Bonds4

About 1,4-dimethyl-N-[(2S)-1-methyliminobutan-2-yl]piperazine-2-carboxamide

1,4-dimethyl-N-[(2S)-1-methyliminobutan-2-yl]piperazine-2-carboxamide (PubChem CID 59124506) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 1,4-dimethyl-N-[(2S)-1-methyliminobutan-2-yl]piperazine-2-carboxamide.

Molecular Properties

Compound Name1,4-dimethyl-N-[(2S)-1-methyliminobutan-2-yl]piperazine-2-carboxamide
PubChem CID59124506
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name1,4-dimethyl-N-[(2S)-1-methyliminobutan-2-yl]piperazine-2-carboxamide
SMILESCC[C@@H](/C=N/C)NC(=O)C1CN(C)CCN1C
InChIInChI=1S/C12H24N4O/c1-5-10(8-13-2)14-12(17)11-9-15(3)6-7-16(11)4/h8,10-11H,5-7,9H2,1-4H3,(H,14,17)/b13-8+/t10-,11?/m0/s1
InChIKeyVJWNQFLGMGAKNC-NEHSMIRVSA-N
XLogP-0.17
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1,4-dimethyl-N-[(2S)-1-methyliminobutan-2-yl]piperazine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-N-[(2S)-1-methyliminobutan-2-yl]piperazine-2-carboxamide?
The IUPAC name of 1,4-dimethyl-N-[(2S)-1-methyliminobutan-2-yl]piperazine-2-carboxamide (CID 59124506) is 1,4-dimethyl-N-[(2S)-1-methyliminobutan-2-yl]piperazine-2-carboxamide.
What is the SMILES notation for 1,4-dimethyl-N-[(2S)-1-methyliminobutan-2-yl]piperazine-2-carboxamide?
The canonical SMILES for 1,4-dimethyl-N-[(2S)-1-methyliminobutan-2-yl]piperazine-2-carboxamide is CC[C@@H](/C=N/C)NC(=O)C1CN(C)CCN1C.
What is the InChIKey of 1,4-dimethyl-N-[(2S)-1-methyliminobutan-2-yl]piperazine-2-carboxamide?
The InChIKey is VJWNQFLGMGAKNC-NEHSMIRVSA-N. The full InChI is InChI=1S/C12H24N4O/c1-5-10(8-13-2)14-12(17)11-9-15(3)6-7-16(11)4/h8,10-11H,5-7,9H2,1-4H3,(H,14,17)/b13-8+/t10-,11?/m0/s1.
What are the key properties of 1,4-dimethyl-N-[(2S)-1-methyliminobutan-2-yl]piperazine-2-carboxamide?
1,4-dimethyl-N-[(2S)-1-methyliminobutan-2-yl]piperazine-2-carboxamide has a molecular weight of 240.35 g/mol, XLogP of -0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-N-[(2S)-1-methyliminobutan-2-yl]piperazine-2-carboxamide is sourced from PubChem (CID 59124506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).