N'-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]-1-(2-methylpropanoyl)piperidine-4-carbohydrazide

C23H29FN4O3 — CID 25333417

IUPACN'-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]-1-(2-methylpropanoyl)piperidine-4-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)C2CCN(C(=O)C(C)C)CC2)c(C)n1-c1ccc(F)cc1
InChIInChI=1S/C23H29FN4O3/c1-14(2)23(31)27-11-9-17(10-12-27)21(29)25-26-22(30)20-13-15(3)28(16(20)4)19-7-5-18(24)6-8-19/h5-8,13-14,17H,9-12H2,1-4H3,(H,25,29)(H,26,30)
InChIKeyGLMAXHOXHGWAQE-UHFFFAOYSA-N
MW428.51 g/mol
LogP2.89
Rot. Bonds4

About N'-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]-1-(2-methylpropanoyl)piperidine-4-carbohydrazide

N'-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]-1-(2-methylpropanoyl)piperidine-4-carbohydrazide (PubChem CID 25333417) has the molecular formula C23H29FN4O3 and a molecular weight of 428.51 g/mol. Its IUPAC name is N'-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]-1-(2-methylpropanoyl)piperidine-4-carbohydrazide.

Molecular Properties

Compound NameN'-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]-1-(2-methylpropanoyl)piperidine-4-carbohydrazide
PubChem CID25333417
Molecular FormulaC23H29FN4O3
Molecular Weight428.51 g/mol
Exact Mass428.22
IUPAC NameN'-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]-1-(2-methylpropanoyl)piperidine-4-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)C2CCN(C(=O)C(C)C)CC2)c(C)n1-c1ccc(F)cc1
InChIInChI=1S/C23H29FN4O3/c1-14(2)23(31)27-11-9-17(10-12-27)21(29)25-26-22(30)20-13-15(3)28(16(20)4)19-7-5-18(24)6-8-19/h5-8,13-14,17H,9-12H2,1-4H3,(H,25,29)(H,26,30)
InChIKeyGLMAXHOXHGWAQE-UHFFFAOYSA-N
XLogP2.89
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carbohydrazide
CID 24664081
1-(4-fluorophenyl)-N,2,5-trimethylpyrrole-3-carboxamide
CID 47101401
N-(5-chloro-2-pyridinyl)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperidine-4-carboxamide
CID 55812719
N-[1-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperidin-4-yl]benzamide
CID 18268324
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxylate
CID 8820686
1-[1-(4-chlorophenyl)-2,5-dimethylpyrrole-3-carbonyl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 47068222
N-(2,4-difluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31783205
[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119541051
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methanone
CID 120820413
[2,5-dimethyl-1-(4-propan-2-ylphenyl)pyrrol-3-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 110887179
[2-(aminomethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methanone
CID 119468484
N'-[(4S)-4-tert-butylcyclohexen-1-yl]-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbohydrazide
CID 2432886

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]-1-(2-methylpropanoyl)piperidine-4-carbohydrazide?
The IUPAC name of N'-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]-1-(2-methylpropanoyl)piperidine-4-carbohydrazide (CID 25333417) is N'-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]-1-(2-methylpropanoyl)piperidine-4-carbohydrazide.
What is the SMILES notation for N'-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]-1-(2-methylpropanoyl)piperidine-4-carbohydrazide?
The canonical SMILES for N'-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]-1-(2-methylpropanoyl)piperidine-4-carbohydrazide is Cc1cc(C(=O)NNC(=O)C2CCN(C(=O)C(C)C)CC2)c(C)n1-c1ccc(F)cc1.
What is the InChIKey of N'-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]-1-(2-methylpropanoyl)piperidine-4-carbohydrazide?
The InChIKey is GLMAXHOXHGWAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O3/c1-14(2)23(31)27-11-9-17(10-12-27)21(29)25-26-22(30)20-13-15(3)28(16(20)4)19-7-5-18(24)6-8-19/h5-8,13-14,17H,9-12H2,1-4H3,(H,25,29)(H,26,30).
What are the key properties of N'-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]-1-(2-methylpropanoyl)piperidine-4-carbohydrazide?
N'-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]-1-(2-methylpropanoyl)piperidine-4-carbohydrazide has a molecular weight of 428.51 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]-1-(2-methylpropanoyl)piperidine-4-carbohydrazide is sourced from PubChem (CID 25333417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).