N'-(5-bromothiophene-2-carbonyl)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbohydrazide

C19H19BrFN3O3S — CID 55738685

IUPACN'-(5-bromothiophene-2-carbonyl)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbohydrazide
SMILESO=C(NNC(=O)C1CCCN(C(=O)Cc2ccc(F)cc2)C1)c1ccc(Br)s1
InChIInChI=1S/C19H19BrFN3O3S/c20-16-8-7-15(28-16)19(27)23-22-18(26)13-2-1-9-24(11-13)17(25)10-12-3-5-14(21)6-4-12/h3-8,13H,1-2,9-11H2,(H,22,26)(H,23,27)
InChIKeyNSWGQDXUVRNSEF-UHFFFAOYSA-N
MW468.35 g/mol
LogP2.89
Rot. Bonds4

About N'-(5-bromothiophene-2-carbonyl)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbohydrazide

N'-(5-bromothiophene-2-carbonyl)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbohydrazide (PubChem CID 55738685) has the molecular formula C19H19BrFN3O3S and a molecular weight of 468.35 g/mol. Its IUPAC name is N'-(5-bromothiophene-2-carbonyl)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(5-bromothiophene-2-carbonyl)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbohydrazide
PubChem CID55738685
Molecular FormulaC19H19BrFN3O3S
Molecular Weight468.35 g/mol
Exact Mass467.03
IUPAC NameN'-(5-bromothiophene-2-carbonyl)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbohydrazide
SMILESO=C(NNC(=O)C1CCCN(C(=O)Cc2ccc(F)cc2)C1)c1ccc(Br)s1
InChIInChI=1S/C19H19BrFN3O3S/c20-16-8-7-15(28-16)19(27)23-22-18(26)13-2-1-9-24(11-13)17(25)10-12-3-5-14(21)6-4-12/h3-8,13H,1-2,9-11H2,(H,22,26)(H,23,27)
InChIKeyNSWGQDXUVRNSEF-UHFFFAOYSA-N
XLogP2.89
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.35
LogP ≤ 52.89
H-Bond Donors ≤ 52
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',1-bis[2-(4-fluorophenyl)acetyl]piperidine-3-carbohydrazide
CID 55738620
(3R)-1-[2-(4-fluorophenyl)acetyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94168679
1-[2-(4-fluorophenyl)acetyl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 55739487
1-[2-(4-fluorophenyl)acetyl]-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-3-carboxamide
CID 110001085
5-bromo-N'-(cyclopropanecarbonyl)thiophene-2-carbohydrazide
CID 26662526
2-(4-fluorophenyl)-1-[3-(3-hydroxypiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 110893860
(3S)-1-[2-(4-fluorophenyl)acetyl]-N-(4-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide
CID 94461778
1-[2-(4-fluorophenyl)acetyl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 55749531
2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 2915380
N-[[(3R)-1-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]pyrrolidin-3-yl]methyl]acetamide
CID 124728676
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 55958398
methyl 2-[[2-[4-[[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]amino]phenyl]acetyl]amino]acetate
CID 55781812

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromothiophene-2-carbonyl)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbohydrazide?
The IUPAC name of N'-(5-bromothiophene-2-carbonyl)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbohydrazide (CID 55738685) is N'-(5-bromothiophene-2-carbonyl)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbohydrazide.
What is the SMILES notation for N'-(5-bromothiophene-2-carbonyl)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbohydrazide?
The canonical SMILES for N'-(5-bromothiophene-2-carbonyl)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbohydrazide is O=C(NNC(=O)C1CCCN(C(=O)Cc2ccc(F)cc2)C1)c1ccc(Br)s1.
What is the InChIKey of N'-(5-bromothiophene-2-carbonyl)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbohydrazide?
The InChIKey is NSWGQDXUVRNSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrFN3O3S/c20-16-8-7-15(28-16)19(27)23-22-18(26)13-2-1-9-24(11-13)17(25)10-12-3-5-14(21)6-4-12/h3-8,13H,1-2,9-11H2,(H,22,26)(H,23,27).
What are the key properties of N'-(5-bromothiophene-2-carbonyl)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbohydrazide?
N'-(5-bromothiophene-2-carbonyl)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbohydrazide has a molecular weight of 468.35 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'-(5-bromothiophene-2-carbonyl)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbohydrazide is sourced from PubChem (CID 55738685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).