N'-(4-fluorobenzoyl)-4-(4-methoxyphenyl)piperazine-1-carbohydrazide

C19H21FN4O3 — CID 18144093

IUPACN'-(4-fluorobenzoyl)-4-(4-methoxyphenyl)piperazine-1-carbohydrazide
SMILESCOc1ccc(N2CCN(C(=O)NNC(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C19H21FN4O3/c1-27-17-8-6-16(7-9-17)23-10-12-24(13-11-23)19(26)22-21-18(25)14-2-4-15(20)5-3-14/h2-9H,10-13H2,1H3,(H,21,25)(H,22,26)
InChIKeyCILAPGVIJUZHRO-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.01
Rot. Bonds3

About N'-(4-fluorobenzoyl)-4-(4-methoxyphenyl)piperazine-1-carbohydrazide

N'-(4-fluorobenzoyl)-4-(4-methoxyphenyl)piperazine-1-carbohydrazide (PubChem CID 18144093) has the molecular formula C19H21FN4O3 and a molecular weight of 372.40 g/mol. Its IUPAC name is N'-(4-fluorobenzoyl)-4-(4-methoxyphenyl)piperazine-1-carbohydrazide.

Molecular Properties

Compound NameN'-(4-fluorobenzoyl)-4-(4-methoxyphenyl)piperazine-1-carbohydrazide
PubChem CID18144093
Molecular FormulaC19H21FN4O3
Molecular Weight372.40 g/mol
Exact Mass372.16
IUPAC NameN'-(4-fluorobenzoyl)-4-(4-methoxyphenyl)piperazine-1-carbohydrazide
SMILESCOc1ccc(N2CCN(C(=O)NNC(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C19H21FN4O3/c1-27-17-8-6-16(7-9-17)23-10-12-24(13-11-23)19(26)22-21-18(25)14-2-4-15(20)5-3-14/h2-9H,10-13H2,1H3,(H,21,25)(H,22,26)
InChIKeyCILAPGVIJUZHRO-UHFFFAOYSA-N
XLogP2.01
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutanoyl]-4-methoxybenzohydrazide
CID 4528259
5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)pyridin-2-one
CID 91955023
1-(4-fluorophenyl)-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridin-2-one
CID 91955128
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzamide
CID 109043150
4-fluoro-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]benzamide
CID 20925911
4-(4-methoxyphenyl)-N'-(thiophene-2-carbonyl)piperazine-1-carbohydrazide
CID 17394875
N-(2,5-difluorophenyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 3258791
N-[C-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)carbonimidoyl]-4-methoxybenzamide
CID 135951112
4-methoxy-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzamide
CID 55376450
4-(4-fluorophenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperazine-1-carboxamide
CID 48515379
4-(4-fluorophenyl)-N-(2-methoxyethoxymethyl)piperazine-1-carboxamide
CID 108894345
4-fluoro-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5-methyl-1H-indol-3-yl]benzamide
CID 46391919

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorobenzoyl)-4-(4-methoxyphenyl)piperazine-1-carbohydrazide?
The IUPAC name of N'-(4-fluorobenzoyl)-4-(4-methoxyphenyl)piperazine-1-carbohydrazide (CID 18144093) is N'-(4-fluorobenzoyl)-4-(4-methoxyphenyl)piperazine-1-carbohydrazide.
What is the SMILES notation for N'-(4-fluorobenzoyl)-4-(4-methoxyphenyl)piperazine-1-carbohydrazide?
The canonical SMILES for N'-(4-fluorobenzoyl)-4-(4-methoxyphenyl)piperazine-1-carbohydrazide is COc1ccc(N2CCN(C(=O)NNC(=O)c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of N'-(4-fluorobenzoyl)-4-(4-methoxyphenyl)piperazine-1-carbohydrazide?
The InChIKey is CILAPGVIJUZHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O3/c1-27-17-8-6-16(7-9-17)23-10-12-24(13-11-23)19(26)22-21-18(25)14-2-4-15(20)5-3-14/h2-9H,10-13H2,1H3,(H,21,25)(H,22,26).
What are the key properties of N'-(4-fluorobenzoyl)-4-(4-methoxyphenyl)piperazine-1-carbohydrazide?
N'-(4-fluorobenzoyl)-4-(4-methoxyphenyl)piperazine-1-carbohydrazide has a molecular weight of 372.40 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorobenzoyl)-4-(4-methoxyphenyl)piperazine-1-carbohydrazide is sourced from PubChem (CID 18144093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).