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

C11H14BrN3O3 — CID 128964558

IUPAC1-(4-bromo-1H-pyrrole-2-carbonyl)-3-hydroxypiperidine-3-carboxamide
SMILESNC(=O)C1(O)CCCN(C(=O)c2cc(Br)c[nH]2)C1
InChIInChI=1S/C11H14BrN3O3/c12-7-4-8(14-5-7)9(16)15-3-1-2-11(18,6-15)10(13)17/h4-5,14,18H,1-3,6H2,(H2,13,17)
InChIKeyDMYBUNZVRSLCJV-UHFFFAOYSA-N
MW316.16 g/mol
LogP0.23
Rot. Bonds2

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

1-(4-bromo-1H-pyrrole-2-carbonyl)-3-hydroxypiperidine-3-carboxamide (PubChem CID 128964558) has the molecular formula C11H14BrN3O3 and a molecular weight of 316.16 g/mol. Its IUPAC name is 1-(4-bromo-1H-pyrrole-2-carbonyl)-3-hydroxypiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-bromo-1H-pyrrole-2-carbonyl)-3-hydroxypiperidine-3-carboxamide
PubChem CID128964558
Molecular FormulaC11H14BrN3O3
Molecular Weight316.16 g/mol
Exact Mass315.02
IUPAC Name1-(4-bromo-1H-pyrrole-2-carbonyl)-3-hydroxypiperidine-3-carboxamide
SMILESNC(=O)C1(O)CCCN(C(=O)c2cc(Br)c[nH]2)C1
InChIInChI=1S/C11H14BrN3O3/c12-7-4-8(14-5-7)9(16)15-3-1-2-11(18,6-15)10(13)17/h4-5,14,18H,1-3,6H2,(H2,13,17)
InChIKeyDMYBUNZVRSLCJV-UHFFFAOYSA-N
XLogP0.23
TPSA99.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(3-bromo-5-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 100652020
(4-bromo-1H-pyrrol-2-yl)-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]methanone
CID 128980454
(3S)-1-(2-bromo-4-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 129353762
1-(4-bromo-1H-pyrrole-2-carbonyl)piperidine-4-carboxamide
CID 32978533
(3S)-1-[2-(3-bromophenyl)acetyl]-3-hydroxypiperidine-3-carboxamide
CID 129486382
3-hydroxy-1-(5-methylfuran-3-carbonyl)piperidine-3-carboxamide
CID 128964564
(3R)-1-(2-chloro-4,5-dimethylbenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 129491751
1-(4-bromo-1H-pyrrole-2-carbonyl)piperidine-3-sulfonamide
CID 61129030
(4-bromo-1H-pyrrol-2-yl)-(3-ethyl-3-methylazetidin-1-yl)methanone
CID 131209512
(3S)-3-hydroxy-1-(4-phenylbenzoyl)piperidine-3-carboxamide
CID 100651742
(4-bromo-1H-pyrrol-2-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62372670
1-(4-chloro-3-methylbenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 128964411

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1H-pyrrole-2-carbonyl)-3-hydroxypiperidine-3-carboxamide?
The IUPAC name of 1-(4-bromo-1H-pyrrole-2-carbonyl)-3-hydroxypiperidine-3-carboxamide (CID 128964558) is 1-(4-bromo-1H-pyrrole-2-carbonyl)-3-hydroxypiperidine-3-carboxamide.
What is the SMILES notation for 1-(4-bromo-1H-pyrrole-2-carbonyl)-3-hydroxypiperidine-3-carboxamide?
The canonical SMILES for 1-(4-bromo-1H-pyrrole-2-carbonyl)-3-hydroxypiperidine-3-carboxamide is NC(=O)C1(O)CCCN(C(=O)c2cc(Br)c[nH]2)C1.
What is the InChIKey of 1-(4-bromo-1H-pyrrole-2-carbonyl)-3-hydroxypiperidine-3-carboxamide?
The InChIKey is DMYBUNZVRSLCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O3/c12-7-4-8(14-5-7)9(16)15-3-1-2-11(18,6-15)10(13)17/h4-5,14,18H,1-3,6H2,(H2,13,17).
What are the key properties of 1-(4-bromo-1H-pyrrole-2-carbonyl)-3-hydroxypiperidine-3-carboxamide?
1-(4-bromo-1H-pyrrole-2-carbonyl)-3-hydroxypiperidine-3-carboxamide has a molecular weight of 316.16 g/mol, XLogP of 0.23, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1H-pyrrole-2-carbonyl)-3-hydroxypiperidine-3-carboxamide is sourced from PubChem (CID 128964558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).