N'-(4-bromo-1H-pyrrole-2-carbonyl)-1-(thiophene-2-carbonyl)piperidine-3-carbohydrazide

C16H17BrN4O3S — CID 55559155

IUPACN'-(4-bromo-1H-pyrrole-2-carbonyl)-1-(thiophene-2-carbonyl)piperidine-3-carbohydrazide
SMILESO=C(NNC(=O)C1CCCN(C(=O)c2cccs2)C1)c1cc(Br)c[nH]1
InChIInChI=1S/C16H17BrN4O3S/c17-11-7-12(18-8-11)15(23)20-19-14(22)10-3-1-5-21(9-10)16(24)13-4-2-6-25-13/h2,4,6-8,10,18H,1,3,5,9H2,(H,19,22)(H,20,23)
InChIKeyMJKFBBUHAZPTNV-UHFFFAOYSA-N
MW425.31 g/mol
LogP2.15
Rot. Bonds3

About N'-(4-bromo-1H-pyrrole-2-carbonyl)-1-(thiophene-2-carbonyl)piperidine-3-carbohydrazide

N'-(4-bromo-1H-pyrrole-2-carbonyl)-1-(thiophene-2-carbonyl)piperidine-3-carbohydrazide (PubChem CID 55559155) has the molecular formula C16H17BrN4O3S and a molecular weight of 425.31 g/mol. Its IUPAC name is N'-(4-bromo-1H-pyrrole-2-carbonyl)-1-(thiophene-2-carbonyl)piperidine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(4-bromo-1H-pyrrole-2-carbonyl)-1-(thiophene-2-carbonyl)piperidine-3-carbohydrazide
PubChem CID55559155
Molecular FormulaC16H17BrN4O3S
Molecular Weight425.31 g/mol
Exact Mass424.02
IUPAC NameN'-(4-bromo-1H-pyrrole-2-carbonyl)-1-(thiophene-2-carbonyl)piperidine-3-carbohydrazide
SMILESO=C(NNC(=O)C1CCCN(C(=O)c2cccs2)C1)c1cc(Br)c[nH]1
InChIInChI=1S/C16H17BrN4O3S/c17-11-7-12(18-8-11)15(23)20-19-14(22)10-3-1-5-21(9-10)16(24)13-4-2-6-25-13/h2,4,6-8,10,18H,1,3,5,9H2,(H,19,22)(H,20,23)
InChIKeyMJKFBBUHAZPTNV-UHFFFAOYSA-N
XLogP2.15
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.31
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(2-hydroxybenzoyl)-1-(thiophene-2-carbonyl)piperidine-3-carbohydrazide
CID 46556792
[4-(4-bromo-1H-pyrrole-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 18115147
N-(4-bromophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946615
(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666
N-[1-(4-bromophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42885431
N-[3-(pyrrolidine-1-carbonyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42955485
N'-(4,6-dimethylpyrimidin-2-yl)-1-(thiophene-2-carbonyl)piperidine-3-carbohydrazide
CID 46557972
N-(dicyclopropylmethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43057486
N-butyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053418
N-(2-iodophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55559011
N-[2-(propan-2-ylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55672694
(3S)-N-propyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 39977852

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromo-1H-pyrrole-2-carbonyl)-1-(thiophene-2-carbonyl)piperidine-3-carbohydrazide?
The IUPAC name of N'-(4-bromo-1H-pyrrole-2-carbonyl)-1-(thiophene-2-carbonyl)piperidine-3-carbohydrazide (CID 55559155) is N'-(4-bromo-1H-pyrrole-2-carbonyl)-1-(thiophene-2-carbonyl)piperidine-3-carbohydrazide.
What is the SMILES notation for N'-(4-bromo-1H-pyrrole-2-carbonyl)-1-(thiophene-2-carbonyl)piperidine-3-carbohydrazide?
The canonical SMILES for N'-(4-bromo-1H-pyrrole-2-carbonyl)-1-(thiophene-2-carbonyl)piperidine-3-carbohydrazide is O=C(NNC(=O)C1CCCN(C(=O)c2cccs2)C1)c1cc(Br)c[nH]1.
What is the InChIKey of N'-(4-bromo-1H-pyrrole-2-carbonyl)-1-(thiophene-2-carbonyl)piperidine-3-carbohydrazide?
The InChIKey is MJKFBBUHAZPTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN4O3S/c17-11-7-12(18-8-11)15(23)20-19-14(22)10-3-1-5-21(9-10)16(24)13-4-2-6-25-13/h2,4,6-8,10,18H,1,3,5,9H2,(H,19,22)(H,20,23).
What are the key properties of N'-(4-bromo-1H-pyrrole-2-carbonyl)-1-(thiophene-2-carbonyl)piperidine-3-carbohydrazide?
N'-(4-bromo-1H-pyrrole-2-carbonyl)-1-(thiophene-2-carbonyl)piperidine-3-carbohydrazide has a molecular weight of 425.31 g/mol, XLogP of 2.15, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromo-1H-pyrrole-2-carbonyl)-1-(thiophene-2-carbonyl)piperidine-3-carbohydrazide is sourced from PubChem (CID 55559155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).