4-iodopiperazine-2-carboxamide

C5H10IN3O — CID 167254743

IUPAC4-iodopiperazine-2-carboxamide
SMILESNC(=O)C1CN(I)CCN1
InChIInChI=1S/C5H10IN3O/c6-9-2-1-8-4(3-9)5(7)10/h4,8H,1-3H2,(H2,7,10)
InChIKeyLIAUPRBJWOXFBQ-UHFFFAOYSA-N
MW255.06 g/mol
LogP-0.90
Rot. Bonds1

About 4-iodopiperazine-2-carboxamide

4-iodopiperazine-2-carboxamide (PubChem CID 167254743) has the molecular formula C5H10IN3O and a molecular weight of 255.06 g/mol. Its IUPAC name is 4-iodopiperazine-2-carboxamide.

Molecular Properties

Compound Name4-iodopiperazine-2-carboxamide
PubChem CID167254743
Molecular FormulaC5H10IN3O
Molecular Weight255.06 g/mol
Exact Mass254.99
IUPAC Name4-iodopiperazine-2-carboxamide
SMILESNC(=O)C1CN(I)CCN1
InChIInChI=1S/C5H10IN3O/c6-9-2-1-8-4(3-9)5(7)10/h4,8H,1-3H2,(H2,7,10)
InChIKeyLIAUPRBJWOXFBQ-UHFFFAOYSA-N
XLogP-0.90
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.06
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-methylbutanoyl)piperazine-2-carboxamide
CID 142644148
(2R)-4-(2-methoxyacetyl)piperazine-2-carboxamide
CID 25391090
(3R)-1-iodopyrrolidine-3-carboxamide
CID 144745483
4-[2-(benzenesulfonyl)acetyl]piperazine-2-carboxamide
CID 163141018
pyrrolidine-2-carboxamide;dihydrobromide
CID 70056458
4-[4-(dimethylamino)benzoyl]piperazine-2-carboxamide
CID 78441973
(3R)-thiomorpholine-3-carboxamide
CID 41097978
(2S)-5-cyclopropylazepane-2-carboxamide
CID 163441383
4-(4-ethoxypyrimidin-2-yl)piperazine-2-carboxamide
CID 146105812
4-[4,4-bis(4-fluorophenyl)butyl]piperazine-2-carboxamide
CID 14230271
(2R,4S)-piperidine-2,4-dicarboxamide
CID 95970376
chloromethane;(2R)-pyrrolidine-2-carboxamide
CID 143336240

Frequently Asked Questions

What is the IUPAC name of 4-iodopiperazine-2-carboxamide?
The IUPAC name of 4-iodopiperazine-2-carboxamide (CID 167254743) is 4-iodopiperazine-2-carboxamide.
What is the SMILES notation for 4-iodopiperazine-2-carboxamide?
The canonical SMILES for 4-iodopiperazine-2-carboxamide is NC(=O)C1CN(I)CCN1.
What is the InChIKey of 4-iodopiperazine-2-carboxamide?
The InChIKey is LIAUPRBJWOXFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10IN3O/c6-9-2-1-8-4(3-9)5(7)10/h4,8H,1-3H2,(H2,7,10).
What are the key properties of 4-iodopiperazine-2-carboxamide?
4-iodopiperazine-2-carboxamide has a molecular weight of 255.06 g/mol, XLogP of -0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodopiperazine-2-carboxamide is sourced from PubChem (CID 167254743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).