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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromo-1H-pyrrole-2-carbonyl)piperidine-4-carboxamide
CID 32978533
(3S,6R)-1-(5-bromothiophene-3-carbonyl)-6-methylpiperidine-3-carboxamide
CID 93380872
1-(4-bromo-3-methylbenzoyl)-6-methylpiperidine-3-carboxamide
CID 115770176
(3S,6R)-1-(3-bromothiophene-2-carbonyl)-6-methylpiperidine-3-carboxamide
CID 95584966
(4-bromo-1H-pyrrol-2-yl)-(3-methylmorpholin-4-yl)methanone
CID 43431802
1-(2,4-dihydroxybenzoyl)-6-methylpiperidine-3-carboxamide
CID 103892090
(3R,6S)-1-[2-(4-bromophenyl)acetyl]-6-methylpiperidine-3-carboxamide
CID 94200570
1-(2,5-dihydroxybenzoyl)-6-methylpiperidine-3-carboxamide
CID 103892089
(3R,6R)-1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-6-methylpiperidine-3-carboxamide
CID 95139369
4-(5-carbamoyl-2-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 115730234
1-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)-6-methylpiperidine-3-carboxamide
CID 48594317
(3R,6S)-1-[2-(3-bromophenyl)acetyl]-6-methylpiperidine-3-carboxamide
CID 95313879

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).