4-ethyliodanuidyl-N,N,2-trimethylpiperazine-1-carboxamide

C10H21IN3O- — CID 177202748

IUPAC4-ethyliodanuidyl-N,N,2-trimethylpiperazine-1-carboxamide
SMILESCC[I-]N1CCN(C(=O)N(C)C)C(C)C1
InChIInChI=1S/C10H21IN3O/c1-5-11-13-6-7-14(9(2)8-13)10(15)12(3)4/h9H,5-8H2,1-4H3/q-1
InChIKeyAUMIQDNDZJXXMW-UHFFFAOYSA-N
MW326.20 g/mol
LogP-2.30
Rot. Bonds2

About 4-ethyliodanuidyl-N,N,2-trimethylpiperazine-1-carboxamide

4-ethyliodanuidyl-N,N,2-trimethylpiperazine-1-carboxamide (PubChem CID 177202748) has the molecular formula C10H21IN3O- and a molecular weight of 326.20 g/mol. Its IUPAC name is 4-ethyliodanuidyl-N,N,2-trimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-ethyliodanuidyl-N,N,2-trimethylpiperazine-1-carboxamide
PubChem CID177202748
Molecular FormulaC10H21IN3O-
Molecular Weight326.20 g/mol
Exact Mass326.07
IUPAC Name4-ethyliodanuidyl-N,N,2-trimethylpiperazine-1-carboxamide
SMILESCC[I-]N1CCN(C(=O)N(C)C)C(C)C1
InChIInChI=1S/C10H21IN3O/c1-5-11-13-6-7-14(9(2)8-13)10(15)12(3)4/h9H,5-8H2,1-4H3/q-1
InChIKeyAUMIQDNDZJXXMW-UHFFFAOYSA-N
XLogP-2.30
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 5-2.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyliodanuidyl-N,N,2-trimethylpiperazine-1-carboxamide?
The IUPAC name of 4-ethyliodanuidyl-N,N,2-trimethylpiperazine-1-carboxamide (CID 177202748) is 4-ethyliodanuidyl-N,N,2-trimethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-ethyliodanuidyl-N,N,2-trimethylpiperazine-1-carboxamide?
The canonical SMILES for 4-ethyliodanuidyl-N,N,2-trimethylpiperazine-1-carboxamide is CC[I-]N1CCN(C(=O)N(C)C)C(C)C1.
What is the InChIKey of 4-ethyliodanuidyl-N,N,2-trimethylpiperazine-1-carboxamide?
The InChIKey is AUMIQDNDZJXXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21IN3O/c1-5-11-13-6-7-14(9(2)8-13)10(15)12(3)4/h9H,5-8H2,1-4H3/q-1.
What are the key properties of 4-ethyliodanuidyl-N,N,2-trimethylpiperazine-1-carboxamide?
4-ethyliodanuidyl-N,N,2-trimethylpiperazine-1-carboxamide has a molecular weight of 326.20 g/mol, XLogP of -2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyliodanuidyl-N,N,2-trimethylpiperazine-1-carboxamide is sourced from PubChem (CID 177202748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).