4-bromo-1-ethyl-N-(2-oxopiperidin-3-yl)pyrrole-2-carboxamide

C12H16BrN3O2 — CID 62093648

IUPAC4-bromo-1-ethyl-N-(2-oxopiperidin-3-yl)pyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)NC1CCCNC1=O
InChIInChI=1S/C12H16BrN3O2/c1-2-16-7-8(13)6-10(16)12(18)15-9-4-3-5-14-11(9)17/h6-7,9H,2-5H2,1H3,(H,14,17)(H,15,18)
InChIKeyFNVBQIUZUCRORG-UHFFFAOYSA-N
MW314.18 g/mol
LogP1.28
Rot. Bonds3

About 4-bromo-1-ethyl-N-(2-oxopiperidin-3-yl)pyrrole-2-carboxamide

4-bromo-1-ethyl-N-(2-oxopiperidin-3-yl)pyrrole-2-carboxamide (PubChem CID 62093648) has the molecular formula C12H16BrN3O2 and a molecular weight of 314.18 g/mol. Its IUPAC name is 4-bromo-1-ethyl-N-(2-oxopiperidin-3-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-ethyl-N-(2-oxopiperidin-3-yl)pyrrole-2-carboxamide
PubChem CID62093648
Molecular FormulaC12H16BrN3O2
Molecular Weight314.18 g/mol
Exact Mass313.04
IUPAC Name4-bromo-1-ethyl-N-(2-oxopiperidin-3-yl)pyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)NC1CCCNC1=O
InChIInChI=1S/C12H16BrN3O2/c1-2-16-7-8(13)6-10(16)12(18)15-9-4-3-5-14-11(9)17/h6-7,9H,2-5H2,1H3,(H,14,17)(H,15,18)
InChIKeyFNVBQIUZUCRORG-UHFFFAOYSA-N
XLogP1.28
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-ethyl-N-piperidin-3-ylpyrrole-2-carboxamide;hydrochloride
CID 119424531
4-bromo-N-cyclobutyl-1-ethylpyrrole-2-carboxamide
CID 55211463
4-bromo-1-ethyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
CID 119510103
4-bromo-1-ethyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
CID 43640965
4-bromo-N-(2-tert-butylcyclohexyl)-1-ethylpyrrole-2-carboxamide
CID 63525805
4-bromo-1-ethyl-N-(2,2,3,3-tetramethylcyclopropyl)pyrrole-2-carboxamide
CID 79350450
4-bromo-1-ethyl-N-(1-methylpiperidin-3-yl)pyrrole-2-carboxamide
CID 61212021
4-bromo-N-(2-oxopiperidin-3-yl)-1H-pyrrole-2-carboxamide
CID 47478452
4-bromo-1-ethyl-N-methylpyrrole-2-carboxamide
CID 43640635
2-[2-[(2-oxopiperidin-3-yl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79331753
1-ethyl-3-(2-methylpropyl)-N-[(3S)-2-oxoazepan-3-yl]pyrazole-5-carboxamide
CID 95127727
4-bromo-N-(3-cyclopentylpropyl)-1-ethylpyrrole-2-carboxamide
CID 106012286

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-N-(2-oxopiperidin-3-yl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-ethyl-N-(2-oxopiperidin-3-yl)pyrrole-2-carboxamide (CID 62093648) is 4-bromo-1-ethyl-N-(2-oxopiperidin-3-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-ethyl-N-(2-oxopiperidin-3-yl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-ethyl-N-(2-oxopiperidin-3-yl)pyrrole-2-carboxamide is CCn1cc(Br)cc1C(=O)NC1CCCNC1=O.
What is the InChIKey of 4-bromo-1-ethyl-N-(2-oxopiperidin-3-yl)pyrrole-2-carboxamide?
The InChIKey is FNVBQIUZUCRORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O2/c1-2-16-7-8(13)6-10(16)12(18)15-9-4-3-5-14-11(9)17/h6-7,9H,2-5H2,1H3,(H,14,17)(H,15,18).
What are the key properties of 4-bromo-1-ethyl-N-(2-oxopiperidin-3-yl)pyrrole-2-carboxamide?
4-bromo-1-ethyl-N-(2-oxopiperidin-3-yl)pyrrole-2-carboxamide has a molecular weight of 314.18 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethyl-N-(2-oxopiperidin-3-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 62093648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).