4-bromo-N-(3-piperidin-4-yloxypropyl)-1H-pyrrole-2-carboxamide

C13H20BrN3O2 — CID 63871118

IUPAC4-bromo-N-(3-piperidin-4-yloxypropyl)-1H-pyrrole-2-carboxamide
SMILESO=C(NCCCOC1CCNCC1)c1cc(Br)c[nH]1
InChIInChI=1S/C13H20BrN3O2/c14-10-8-12(17-9-10)13(18)16-4-1-7-19-11-2-5-15-6-3-11/h8-9,11,15,17H,1-7H2,(H,16,18)
InChIKeyIVHDCZWKUFUGFL-UHFFFAOYSA-N
MW330.23 g/mol
LogP1.67
Rot. Bonds6

About 4-bromo-N-(3-piperidin-4-yloxypropyl)-1H-pyrrole-2-carboxamide

4-bromo-N-(3-piperidin-4-yloxypropyl)-1H-pyrrole-2-carboxamide (PubChem CID 63871118) has the molecular formula C13H20BrN3O2 and a molecular weight of 330.23 g/mol. Its IUPAC name is 4-bromo-N-(3-piperidin-4-yloxypropyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(3-piperidin-4-yloxypropyl)-1H-pyrrole-2-carboxamide
PubChem CID63871118
Molecular FormulaC13H20BrN3O2
Molecular Weight330.23 g/mol
Exact Mass329.07
IUPAC Name4-bromo-N-(3-piperidin-4-yloxypropyl)-1H-pyrrole-2-carboxamide
SMILESO=C(NCCCOC1CCNCC1)c1cc(Br)c[nH]1
InChIInChI=1S/C13H20BrN3O2/c14-10-8-12(17-9-10)13(18)16-4-1-7-19-11-2-5-15-6-3-11/h8-9,11,15,17H,1-7H2,(H,16,18)
InChIKeyIVHDCZWKUFUGFL-UHFFFAOYSA-N
XLogP1.67
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(3-ethoxypropyl)-1H-pyrrole-2-carboxamide
CID 18108948
3-bromo-5-fluoro-N-(3-piperidin-4-yloxypropyl)benzamide
CID 63870959
4-bromo-N-(3-cyclopropylpropyl)-1H-pyrrole-2-carboxamide
CID 115637079
4-bromo-N-[3-(cyclopropylamino)propyl]-1H-pyrrole-2-carboxamide
CID 43596530
2-bromo-N-(3-piperidin-4-yloxypropyl)furan-3-carboxamide
CID 106855106
3-hydroxy-N-(3-piperidin-4-yloxypropyl)pyridine-2-carboxamide
CID 63870452
N-(3-aminopropyl)-4-bromo-1H-pyrrole-2-carboxamide
CID 61249115
3-piperidin-4-yloxypropylcarbamic acid
CID 166772010
N-(4-amino-4-oxobutyl)-4-bromo-1H-pyrrole-2-carboxamide
CID 47191038
N-(3-piperidin-4-yloxypropyl)thiophene-2-carboxamide
CID 63870121
4-hydroxy-2-methyl-N-(3-piperidin-4-yloxypropyl)benzamide
CID 107672054
5-methyl-N-(3-piperidin-4-yloxypropyl)furan-2-carboxamide
CID 55252129

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-piperidin-4-yloxypropyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(3-piperidin-4-yloxypropyl)-1H-pyrrole-2-carboxamide (CID 63871118) is 4-bromo-N-(3-piperidin-4-yloxypropyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(3-piperidin-4-yloxypropyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(3-piperidin-4-yloxypropyl)-1H-pyrrole-2-carboxamide is O=C(NCCCOC1CCNCC1)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N-(3-piperidin-4-yloxypropyl)-1H-pyrrole-2-carboxamide?
The InChIKey is IVHDCZWKUFUGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O2/c14-10-8-12(17-9-10)13(18)16-4-1-7-19-11-2-5-15-6-3-11/h8-9,11,15,17H,1-7H2,(H,16,18).
What are the key properties of 4-bromo-N-(3-piperidin-4-yloxypropyl)-1H-pyrrole-2-carboxamide?
4-bromo-N-(3-piperidin-4-yloxypropyl)-1H-pyrrole-2-carboxamide has a molecular weight of 330.23 g/mol, XLogP of 1.67, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-piperidin-4-yloxypropyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 63871118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).