4-iodo-N-(2-piperidin-3-ylethyl)-1H-pyrrole-2-carboxamide

C12H18IN3O — CID 119557742

IUPAC4-iodo-N-(2-piperidin-3-ylethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(NCCC1CCCNC1)c1cc(I)c[nH]1
InChIInChI=1S/C12H18IN3O/c13-10-6-11(16-8-10)12(17)15-5-3-9-2-1-4-14-7-9/h6,8-9,14,16H,1-5,7H2,(H,15,17)
InChIKeyFQNUIFIWHRADJH-UHFFFAOYSA-N
MW347.20 g/mol
LogP1.74
Rot. Bonds4

About 4-iodo-N-(2-piperidin-3-ylethyl)-1H-pyrrole-2-carboxamide

4-iodo-N-(2-piperidin-3-ylethyl)-1H-pyrrole-2-carboxamide (PubChem CID 119557742) has the molecular formula C12H18IN3O and a molecular weight of 347.20 g/mol. Its IUPAC name is 4-iodo-N-(2-piperidin-3-ylethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-iodo-N-(2-piperidin-3-ylethyl)-1H-pyrrole-2-carboxamide
PubChem CID119557742
Molecular FormulaC12H18IN3O
Molecular Weight347.20 g/mol
Exact Mass347.05
IUPAC Name4-iodo-N-(2-piperidin-3-ylethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(NCCC1CCCNC1)c1cc(I)c[nH]1
InChIInChI=1S/C12H18IN3O/c13-10-6-11(16-8-10)12(17)15-5-3-9-2-1-4-14-7-9/h6,8-9,14,16H,1-5,7H2,(H,15,17)
InChIKeyFQNUIFIWHRADJH-UHFFFAOYSA-N
XLogP1.74
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554925
3-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555518
N-(2-piperidin-3-ylethyl)-1H-indole-2-carboxamide
CID 63628878
2-oxo-N-(2-piperidin-3-ylethyl)-1H-pyridine-4-carboxamide
CID 103806761
4-fluoro-2-iodo-N-(2-piperidin-3-ylethyl)benzamide
CID 103806776
N-(2-piperidin-3-ylethyl)-1,2-oxazole-3-carboxamide
CID 63627853
2,3,5,6-tetrafluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555428
N-(2-piperidin-3-ylethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 63628034
1-methyl-N-(2-piperidin-3-ylethyl)-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride
CID 119556680
2,6-difluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554934
1-N-methyl-3-N-(2-piperidin-3-ylethyl)benzene-1,3-dicarboxamide
CID 119559534
3-chloro-N-(2-piperidin-3-ylethyl)benzamide
CID 63628186

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-(2-piperidin-3-ylethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-iodo-N-(2-piperidin-3-ylethyl)-1H-pyrrole-2-carboxamide (CID 119557742) is 4-iodo-N-(2-piperidin-3-ylethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-iodo-N-(2-piperidin-3-ylethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-iodo-N-(2-piperidin-3-ylethyl)-1H-pyrrole-2-carboxamide is O=C(NCCC1CCCNC1)c1cc(I)c[nH]1.
What is the InChIKey of 4-iodo-N-(2-piperidin-3-ylethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is FQNUIFIWHRADJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18IN3O/c13-10-6-11(16-8-10)12(17)15-5-3-9-2-1-4-14-7-9/h6,8-9,14,16H,1-5,7H2,(H,15,17).
What are the key properties of 4-iodo-N-(2-piperidin-3-ylethyl)-1H-pyrrole-2-carboxamide?
4-iodo-N-(2-piperidin-3-ylethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 347.20 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-(2-piperidin-3-ylethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 119557742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).