N',1-bis[2-(4-fluorophenyl)acetyl]piperidine-3-carbohydrazide

C22H23F2N3O3 — CID 55738620

IUPACN',1-bis[2-(4-fluorophenyl)acetyl]piperidine-3-carbohydrazide
SMILESO=C(Cc1ccc(F)cc1)NNC(=O)C1CCCN(C(=O)Cc2ccc(F)cc2)C1
InChIInChI=1S/C22H23F2N3O3/c23-18-7-3-15(4-8-18)12-20(28)25-26-22(30)17-2-1-11-27(14-17)21(29)13-16-5-9-19(24)10-6-16/h3-10,17H,1-2,11-14H2,(H,25,28)(H,26,30)
InChIKeyPPWAWALBSCKJSI-UHFFFAOYSA-N
MW415.44 g/mol
LogP2.14
Rot. Bonds5

About N',1-bis[2-(4-fluorophenyl)acetyl]piperidine-3-carbohydrazide

N',1-bis[2-(4-fluorophenyl)acetyl]piperidine-3-carbohydrazide (PubChem CID 55738620) has the molecular formula C22H23F2N3O3 and a molecular weight of 415.44 g/mol. Its IUPAC name is N',1-bis[2-(4-fluorophenyl)acetyl]piperidine-3-carbohydrazide.

Molecular Properties

Compound NameN',1-bis[2-(4-fluorophenyl)acetyl]piperidine-3-carbohydrazide
PubChem CID55738620
Molecular FormulaC22H23F2N3O3
Molecular Weight415.44 g/mol
Exact Mass415.17
IUPAC NameN',1-bis[2-(4-fluorophenyl)acetyl]piperidine-3-carbohydrazide
SMILESO=C(Cc1ccc(F)cc1)NNC(=O)C1CCCN(C(=O)Cc2ccc(F)cc2)C1
InChIInChI=1S/C22H23F2N3O3/c23-18-7-3-15(4-8-18)12-20(28)25-26-22(30)17-2-1-11-27(14-17)21(29)13-16-5-9-19(24)10-6-16/h3-10,17H,1-2,11-14H2,(H,25,28)(H,26,30)
InChIKeyPPWAWALBSCKJSI-UHFFFAOYSA-N
XLogP2.14
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.44
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-[2-(4-fluorophenyl)acetyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94168679
N'-(5-bromothiophene-2-carbonyl)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbohydrazide
CID 55738685
1-[2-(4-fluorophenyl)acetyl]-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-3-carboxamide
CID 110001085
1-[3-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 55739986
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
(3R)-1-[2-(4-fluorophenyl)acetyl]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 95345541
2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 2915380
1-[2-(4-fluorophenyl)acetyl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 55739487
N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 55743212
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',1-bis[2-(4-fluorophenyl)acetyl]piperidine-3-carbohydrazide?
The IUPAC name of N',1-bis[2-(4-fluorophenyl)acetyl]piperidine-3-carbohydrazide (CID 55738620) is N',1-bis[2-(4-fluorophenyl)acetyl]piperidine-3-carbohydrazide.
What is the SMILES notation for N',1-bis[2-(4-fluorophenyl)acetyl]piperidine-3-carbohydrazide?
The canonical SMILES for N',1-bis[2-(4-fluorophenyl)acetyl]piperidine-3-carbohydrazide is O=C(Cc1ccc(F)cc1)NNC(=O)C1CCCN(C(=O)Cc2ccc(F)cc2)C1.
What is the InChIKey of N',1-bis[2-(4-fluorophenyl)acetyl]piperidine-3-carbohydrazide?
The InChIKey is PPWAWALBSCKJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O3/c23-18-7-3-15(4-8-18)12-20(28)25-26-22(30)17-2-1-11-27(14-17)21(29)13-16-5-9-19(24)10-6-16/h3-10,17H,1-2,11-14H2,(H,25,28)(H,26,30).
What are the key properties of N',1-bis[2-(4-fluorophenyl)acetyl]piperidine-3-carbohydrazide?
N',1-bis[2-(4-fluorophenyl)acetyl]piperidine-3-carbohydrazide has a molecular weight of 415.44 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',1-bis[2-(4-fluorophenyl)acetyl]piperidine-3-carbohydrazide is sourced from PubChem (CID 55738620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).