4,5-dichloro-N-(3-piperidin-1-ylpropyl)-1H-pyrrole-2-carboxamide

C13H19Cl2N3O — CID 78833399

IUPAC4,5-dichloro-N-(3-piperidin-1-ylpropyl)-1H-pyrrole-2-carboxamide
SMILESO=C(NCCCN1CCCCC1)c1cc(Cl)c(Cl)[nH]1
InChIInChI=1S/C13H19Cl2N3O/c14-10-9-11(17-12(10)15)13(19)16-5-4-8-18-6-2-1-3-7-18/h9,17H,1-8H2,(H,16,19)
InChIKeyHIXSDASWTINVIV-UHFFFAOYSA-N
MW304.22 g/mol
LogP2.93
Rot. Bonds5

About 4,5-dichloro-N-(3-piperidin-1-ylpropyl)-1H-pyrrole-2-carboxamide

4,5-dichloro-N-(3-piperidin-1-ylpropyl)-1H-pyrrole-2-carboxamide (PubChem CID 78833399) has the molecular formula C13H19Cl2N3O and a molecular weight of 304.22 g/mol. Its IUPAC name is 4,5-dichloro-N-(3-piperidin-1-ylpropyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-(3-piperidin-1-ylpropyl)-1H-pyrrole-2-carboxamide
PubChem CID78833399
Molecular FormulaC13H19Cl2N3O
Molecular Weight304.22 g/mol
Exact Mass303.09
IUPAC Name4,5-dichloro-N-(3-piperidin-1-ylpropyl)-1H-pyrrole-2-carboxamide
SMILESO=C(NCCCN1CCCCC1)c1cc(Cl)c(Cl)[nH]1
InChIInChI=1S/C13H19Cl2N3O/c14-10-9-11(17-12(10)15)13(19)16-5-4-8-18-6-2-1-3-7-18/h9,17H,1-8H2,(H,16,19)
InChIKeyHIXSDASWTINVIV-UHFFFAOYSA-N
XLogP2.93
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,5-dichloro-N-[3-(2-oxoazepan-1-yl)propyl]-1H-pyrrole-2-carboxamide
CID 78833609
2,5-dichloro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
CID 114917609
4,5-dichloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 37495208
2,5-dichloro-N-(5-piperidin-1-ylpentyl)benzamide
CID 110440779
2-amino-5-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
CID 114923433
4,5-dichloro-N-(2-sulfamoylethyl)-1H-pyrrole-2-carboxamide
CID 61131054
N-[3-(azepan-1-yl)propyl]-2-(2,6-dichlorophenyl)acetamide
CID 112764661
3-bromo-4-chloro-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 103841452
4-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 81226066
3,5-dibromo-N-(3-piperidin-1-ylpropyl)benzamide
CID 107980133
4,5-dichloro-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1H-pyrrole-2-carboxamide
CID 78839389
4-amino-N-(3-piperidin-1-ylpropyl)-1H-pyrazole-5-carboxamide
CID 63102669

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-(3-piperidin-1-ylpropyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4,5-dichloro-N-(3-piperidin-1-ylpropyl)-1H-pyrrole-2-carboxamide (CID 78833399) is 4,5-dichloro-N-(3-piperidin-1-ylpropyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-(3-piperidin-1-ylpropyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4,5-dichloro-N-(3-piperidin-1-ylpropyl)-1H-pyrrole-2-carboxamide is O=C(NCCCN1CCCCC1)c1cc(Cl)c(Cl)[nH]1.
What is the InChIKey of 4,5-dichloro-N-(3-piperidin-1-ylpropyl)-1H-pyrrole-2-carboxamide?
The InChIKey is HIXSDASWTINVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N3O/c14-10-9-11(17-12(10)15)13(19)16-5-4-8-18-6-2-1-3-7-18/h9,17H,1-8H2,(H,16,19).
What are the key properties of 4,5-dichloro-N-(3-piperidin-1-ylpropyl)-1H-pyrrole-2-carboxamide?
4,5-dichloro-N-(3-piperidin-1-ylpropyl)-1H-pyrrole-2-carboxamide has a molecular weight of 304.22 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-(3-piperidin-1-ylpropyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 78833399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).