1-(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)piperidine-4-carboxamide

C14H20BrN3O2 — CID 43640533

IUPAC1-(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)piperidine-4-carboxamide
SMILESCC(C)n1cc(Br)cc1C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C14H20BrN3O2/c1-9(2)18-8-11(15)7-12(18)14(20)17-5-3-10(4-6-17)13(16)19/h7-10H,3-6H2,1-2H3,(H2,16,19)
InChIKeyGHVHKEFSIAJSPP-UHFFFAOYSA-N
MW342.24 g/mol
LogP2.17
Rot. Bonds3

About 1-(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)piperidine-4-carboxamide

1-(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)piperidine-4-carboxamide (PubChem CID 43640533) has the molecular formula C14H20BrN3O2 and a molecular weight of 342.24 g/mol. Its IUPAC name is 1-(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)piperidine-4-carboxamide
PubChem CID43640533
Molecular FormulaC14H20BrN3O2
Molecular Weight342.24 g/mol
Exact Mass341.07
IUPAC Name1-(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)piperidine-4-carboxamide
SMILESCC(C)n1cc(Br)cc1C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C14H20BrN3O2/c1-9(2)18-8-11(15)7-12(18)14(20)17-5-3-10(4-6-17)13(16)19/h7-10H,3-6H2,1-2H3,(H2,16,19)
InChIKeyGHVHKEFSIAJSPP-UHFFFAOYSA-N
XLogP2.17
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)piperidine-4-carboxylate
CID 86998647
(4-bromo-1-propan-2-ylpyrrol-2-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 43641438
(4-bromo-1-propan-2-ylpyrrol-2-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 112697874
(4-bromo-1-propan-2-ylpyrrol-2-yl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 60955212
(4-bromo-1-propan-2-ylpyrrol-2-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119624857
(4-bromo-1-propan-2-ylpyrrol-2-yl)-(1,4-oxazepan-4-yl)methanone
CID 62974750
(4-bromo-1-propan-2-ylpyrrol-2-yl)-(1,4-diazepan-1-yl)methanone;hydrochloride
CID 119418052
(4-bromo-1-propan-2-ylpyrrol-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304310
(4-bromo-1-propan-2-ylpyrrol-2-yl)-(3-methoxypiperidin-1-yl)methanone
CID 103707288
(4-bromo-1-propan-2-ylpyrrol-2-yl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 55061421
1-(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)azepane-2-carboxylic acid
CID 64558595
(4-bromo-1-propan-2-ylpyrrol-2-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62973851

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)piperidine-4-carboxamide (CID 43640533) is 1-(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)piperidine-4-carboxamide is CC(C)n1cc(Br)cc1C(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is GHVHKEFSIAJSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O2/c1-9(2)18-8-11(15)7-12(18)14(20)17-5-3-10(4-6-17)13(16)19/h7-10H,3-6H2,1-2H3,(H2,16,19).
What are the key properties of 1-(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)piperidine-4-carboxamide?
1-(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 342.24 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 43640533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).