N'-[2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetyl]-4-methoxybenzohydrazide

C21H23FN6O3 — CID 3229068

IUPACN'-[2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetyl]-4-methoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)CN2CCC(n3nnc4cc(F)ccc43)CC2)cc1
InChIInChI=1S/C21H23FN6O3/c1-31-17-5-2-14(3-6-17)21(30)25-24-20(29)13-27-10-8-16(9-11-27)28-19-7-4-15(22)12-18(19)23-26-28/h2-7,12,16H,8-11,13H2,1H3,(H,24,29)(H,25,30)
InChIKeyAZZGFNDBOPOTGR-UHFFFAOYSA-N
MW426.45 g/mol
LogP1.68
Rot. Bonds5

About N'-[2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetyl]-4-methoxybenzohydrazide

N'-[2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetyl]-4-methoxybenzohydrazide (PubChem CID 3229068) has the molecular formula C21H23FN6O3 and a molecular weight of 426.45 g/mol. Its IUPAC name is N'-[2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetyl]-4-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetyl]-4-methoxybenzohydrazide
PubChem CID3229068
Molecular FormulaC21H23FN6O3
Molecular Weight426.45 g/mol
Exact Mass426.18
IUPAC NameN'-[2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetyl]-4-methoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)CN2CCC(n3nnc4cc(F)ccc43)CC2)cc1
InChIInChI=1S/C21H23FN6O3/c1-31-17-5-2-14(3-6-17)21(30)25-24-20(29)13-27-10-8-16(9-11-27)28-19-7-4-15(22)12-18(19)23-26-28/h2-7,12,16H,8-11,13H2,1H3,(H,24,29)(H,25,30)
InChIKeyAZZGFNDBOPOTGR-UHFFFAOYSA-N
XLogP1.68
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.45
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-(4-Methoxybenzoyl)-1H-benzotriazole
CID 710644
3-(1H-1,2,3-Benzotriazol-1-YL)-N'-(4-methoxybenzylidene)propanohydrazide
CID 9557770
2-[(2-Benzotriazol-1-yl-acetyl)-cyclopropyl-amino]-N-(4-fluoro-phenyl)-2-(3-methoxy-phenyl)-acetamide
CID 3202425
4-Methoxy-benzoic acid N'-{2-[4-(5-trifluoromethyl-benzotriazol-1-yl)-piperidin-1-yl]-acetyl}-hydrazide
CID 3229066
2-Benzotriazolyl-1-(4-methoxyphenyl)ethan-1-one
CID 3812150
(3,4-Dimethoxyphenyl)-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]methanone
CID 1469822
2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 1469834
2-[2-(1H-1,2,3-Benzotriazol-1-YL)-N-(4-methoxyphenyl)acetamido]-N-benzyl-2-(4-fluorophenyl)acetamide
CID 3188591
2-[2-(1H-1,2,3-Benzotriazol-1-YL)-N-(4-fluorophenyl)acetamido]-N-benzyl-2-(4-methoxyphenyl)acetamide
CID 3188604
2-[(2-Benzotriazol-1-yl-acetyl)-cyclopropyl-amino]-2-(4-ethoxy-phenyl)-N-(4-fluoro-phenyl)-acetamide
CID 3202420
2-[(2-Benzotriazol-1-yl-acetyl)-cyclopropyl-amino]-N-(4-fluoro-phenyl)-2-(4-methoxy-phenyl)-acetamide
CID 3202421
2-[(2-Benzotriazol-1-yl-acetyl)-sec-butyl-amino]-N-(4-fluoro-phenyl)-2-(3-methoxy-phenyl)-acetamide
CID 3202427

Frequently Asked Questions

What is the IUPAC name of N'-[2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetyl]-4-methoxybenzohydrazide?
The IUPAC name of N'-[2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetyl]-4-methoxybenzohydrazide (CID 3229068) is N'-[2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetyl]-4-methoxybenzohydrazide.
What is the SMILES notation for N'-[2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetyl]-4-methoxybenzohydrazide?
The canonical SMILES for N'-[2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetyl]-4-methoxybenzohydrazide is COc1ccc(C(=O)NNC(=O)CN2CCC(n3nnc4cc(F)ccc43)CC2)cc1.
What is the InChIKey of N'-[2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetyl]-4-methoxybenzohydrazide?
The InChIKey is AZZGFNDBOPOTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6O3/c1-31-17-5-2-14(3-6-17)21(30)25-24-20(29)13-27-10-8-16(9-11-27)28-19-7-4-15(22)12-18(19)23-26-28/h2-7,12,16H,8-11,13H2,1H3,(H,24,29)(H,25,30).
What are the key properties of N'-[2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetyl]-4-methoxybenzohydrazide?
N'-[2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetyl]-4-methoxybenzohydrazide has a molecular weight of 426.45 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]acetyl]-4-methoxybenzohydrazide is sourced from PubChem (CID 3229068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).