1-(4-bromo-1H-pyrrole-2-carbonyl)piperidine-4-carboxamide

C11H14BrN3O2 — CID 32978533

IUPAC1-(4-bromo-1H-pyrrole-2-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cc(Br)c[nH]2)CC1
InChIInChI=1S/C11H14BrN3O2/c12-8-5-9(14-6-8)11(17)15-3-1-7(2-4-15)10(13)16/h5-7,14H,1-4H2,(H2,13,16)
InChIKeyUOZLRWYPOLFXSK-UHFFFAOYSA-N
MW300.16 g/mol
LogP1.11
Rot. Bonds2

About 1-(4-bromo-1H-pyrrole-2-carbonyl)piperidine-4-carboxamide

1-(4-bromo-1H-pyrrole-2-carbonyl)piperidine-4-carboxamide (PubChem CID 32978533) has the molecular formula C11H14BrN3O2 and a molecular weight of 300.16 g/mol. Its IUPAC name is 1-(4-bromo-1H-pyrrole-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromo-1H-pyrrole-2-carbonyl)piperidine-4-carboxamide
PubChem CID32978533
Molecular FormulaC11H14BrN3O2
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name1-(4-bromo-1H-pyrrole-2-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cc(Br)c[nH]2)CC1
InChIInChI=1S/C11H14BrN3O2/c12-8-5-9(14-6-8)11(17)15-3-1-7(2-4-15)10(13)16/h5-7,14H,1-4H2,(H2,13,16)
InChIKeyUOZLRWYPOLFXSK-UHFFFAOYSA-N
XLogP1.11
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-1H-pyrrol-2-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63250702
1-(4-bromo-1H-pyrrole-2-carbonyl)-6-methylpiperidine-3-carboxamide
CID 47268437
(4-bromo-1H-pyrrol-2-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115775240
(4-bromo-1H-pyrrol-2-yl)-(4-tert-butylpiperazin-1-yl)methanone
CID 61244887
(4-bromo-1H-pyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone
CID 43410882
1-(4-bromo-1H-pyrrole-2-carbonyl)piperidine-3-sulfonamide
CID 61129030
(4-bromo-1H-pyrrol-2-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 95376910
1-(4-bromo-2-hydroxybenzoyl)piperidine-4-carboxamide
CID 47080579
(4-amino-1H-pyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 43642092
1-(1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 166600812
1-(4-bromo-1H-pyrrole-2-carbonyl)-3-hydroxypiperidine-3-carboxamide
CID 128964558
1-(5-bromo-2-fluorobenzoyl)piperidine-4-carboxamide
CID 24699357

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1H-pyrrole-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-bromo-1H-pyrrole-2-carbonyl)piperidine-4-carboxamide (CID 32978533) is 1-(4-bromo-1H-pyrrole-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-bromo-1H-pyrrole-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-bromo-1H-pyrrole-2-carbonyl)piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2cc(Br)c[nH]2)CC1.
What is the InChIKey of 1-(4-bromo-1H-pyrrole-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is UOZLRWYPOLFXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O2/c12-8-5-9(14-6-8)11(17)15-3-1-7(2-4-15)10(13)16/h5-7,14H,1-4H2,(H2,13,16).
What are the key properties of 1-(4-bromo-1H-pyrrole-2-carbonyl)piperidine-4-carboxamide?
1-(4-bromo-1H-pyrrole-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 300.16 g/mol, XLogP of 1.11, 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)piperidine-4-carboxamide is sourced from PubChem (CID 32978533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).