4-(ethylamino)-1-iodopiperidine-4-carboxamide

C8H16IN3O — CID 145006670

IUPAC4-(ethylamino)-1-iodopiperidine-4-carboxamide
SMILESCCNC1(C(N)=O)CCN(I)CC1
InChIInChI=1S/C8H16IN3O/c1-2-11-8(7(10)13)3-5-12(9)6-4-8/h11H,2-6H2,1H3,(H2,10,13)
InChIKeyOJEQDDHGGZTEPM-UHFFFAOYSA-N
MW297.14 g/mol
LogP0.27
Rot. Bonds3

About 4-(ethylamino)-1-iodopiperidine-4-carboxamide

4-(ethylamino)-1-iodopiperidine-4-carboxamide (PubChem CID 145006670) has the molecular formula C8H16IN3O and a molecular weight of 297.14 g/mol. Its IUPAC name is 4-(ethylamino)-1-iodopiperidine-4-carboxamide.

Molecular Properties

Compound Name4-(ethylamino)-1-iodopiperidine-4-carboxamide
PubChem CID145006670
Molecular FormulaC8H16IN3O
Molecular Weight297.14 g/mol
Exact Mass297.03
IUPAC Name4-(ethylamino)-1-iodopiperidine-4-carboxamide
SMILESCCNC1(C(N)=O)CCN(I)CC1
InChIInChI=1S/C8H16IN3O/c1-2-11-8(7(10)13)3-5-12(9)6-4-8/h11H,2-6H2,1H3,(H2,10,13)
InChIKeyOJEQDDHGGZTEPM-UHFFFAOYSA-N
XLogP0.27
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 50.27
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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Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-1-iodopiperidine-4-carboxamide?
The IUPAC name of 4-(ethylamino)-1-iodopiperidine-4-carboxamide (CID 145006670) is 4-(ethylamino)-1-iodopiperidine-4-carboxamide.
What is the SMILES notation for 4-(ethylamino)-1-iodopiperidine-4-carboxamide?
The canonical SMILES for 4-(ethylamino)-1-iodopiperidine-4-carboxamide is CCNC1(C(N)=O)CCN(I)CC1.
What is the InChIKey of 4-(ethylamino)-1-iodopiperidine-4-carboxamide?
The InChIKey is OJEQDDHGGZTEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16IN3O/c1-2-11-8(7(10)13)3-5-12(9)6-4-8/h11H,2-6H2,1H3,(H2,10,13).
What are the key properties of 4-(ethylamino)-1-iodopiperidine-4-carboxamide?
4-(ethylamino)-1-iodopiperidine-4-carboxamide has a molecular weight of 297.14 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-1-iodopiperidine-4-carboxamide is sourced from PubChem (CID 145006670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).