1-(4-bromo-1H-pyrrole-2-carbonyl)-6-methylpiperidine-3-carboxamide

C12H16BrN3O2 — CID 47268437

IUPAC1-(4-bromo-1H-pyrrole-2-carbonyl)-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1C(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C12H16BrN3O2/c1-7-2-3-8(11(14)17)6-16(7)12(18)10-4-9(13)5-15-10/h4-5,7-8,15H,2-3,6H2,1H3,(H2,14,17)
InChIKeyIMCCNFPKIIMDSE-UHFFFAOYSA-N
MW314.18 g/mol
LogP1.50
Rot. Bonds2

About 1-(4-bromo-1H-pyrrole-2-carbonyl)-6-methylpiperidine-3-carboxamide

1-(4-bromo-1H-pyrrole-2-carbonyl)-6-methylpiperidine-3-carboxamide (PubChem CID 47268437) has the molecular formula C12H16BrN3O2 and a molecular weight of 314.18 g/mol. Its IUPAC name is 1-(4-bromo-1H-pyrrole-2-carbonyl)-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-bromo-1H-pyrrole-2-carbonyl)-6-methylpiperidine-3-carboxamide
PubChem CID47268437
Molecular FormulaC12H16BrN3O2
Molecular Weight314.18 g/mol
Exact Mass313.04
IUPAC Name1-(4-bromo-1H-pyrrole-2-carbonyl)-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1C(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C12H16BrN3O2/c1-7-2-3-8(11(14)17)6-16(7)12(18)10-4-9(13)5-15-10/h4-5,7-8,15H,2-3,6H2,1H3,(H2,14,17)
InChIKeyIMCCNFPKIIMDSE-UHFFFAOYSA-N
XLogP1.50
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1H-pyrrole-2-carbonyl)-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(4-bromo-1H-pyrrole-2-carbonyl)-6-methylpiperidine-3-carboxamide (CID 47268437) is 1-(4-bromo-1H-pyrrole-2-carbonyl)-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(4-bromo-1H-pyrrole-2-carbonyl)-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(4-bromo-1H-pyrrole-2-carbonyl)-6-methylpiperidine-3-carboxamide is CC1CCC(C(N)=O)CN1C(=O)c1cc(Br)c[nH]1.
What is the InChIKey of 1-(4-bromo-1H-pyrrole-2-carbonyl)-6-methylpiperidine-3-carboxamide?
The InChIKey is IMCCNFPKIIMDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O2/c1-7-2-3-8(11(14)17)6-16(7)12(18)10-4-9(13)5-15-10/h4-5,7-8,15H,2-3,6H2,1H3,(H2,14,17).
What are the key properties of 1-(4-bromo-1H-pyrrole-2-carbonyl)-6-methylpiperidine-3-carboxamide?
1-(4-bromo-1H-pyrrole-2-carbonyl)-6-methylpiperidine-3-carboxamide has a molecular weight of 314.18 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1H-pyrrole-2-carbonyl)-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 47268437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).