4-methoxy-N'-[2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetyl]benzohydrazide

C22H26N6O3 — CID 3229067

IUPAC4-methoxy-N'-[2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetyl]benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)CN2CCC(n3nnc4cc(C)ccc43)CC2)cc1
InChIInChI=1S/C22H26N6O3/c1-15-3-8-20-19(13-15)23-26-28(20)17-9-11-27(12-10-17)14-21(29)24-25-22(30)16-4-6-18(31-2)7-5-16/h3-8,13,17H,9-12,14H2,1-2H3,(H,24,29)(H,25,30)
InChIKeyWAZQYCDVKFKYEY-UHFFFAOYSA-N
MW422.49 g/mol
LogP1.85
Rot. Bonds5

About 4-methoxy-N'-[2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetyl]benzohydrazide

4-methoxy-N'-[2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetyl]benzohydrazide (PubChem CID 3229067) has the molecular formula C22H26N6O3 and a molecular weight of 422.49 g/mol. Its IUPAC name is 4-methoxy-N'-[2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetyl]benzohydrazide.

Molecular Properties

Compound Name4-methoxy-N'-[2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetyl]benzohydrazide
PubChem CID3229067
Molecular FormulaC22H26N6O3
Molecular Weight422.49 g/mol
Exact Mass422.21
IUPAC Name4-methoxy-N'-[2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetyl]benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)CN2CCC(n3nnc4cc(C)ccc43)CC2)cc1
InChIInChI=1S/C22H26N6O3/c1-15-3-8-20-19(13-15)23-26-28(20)17-9-11-27(12-10-17)14-21(29)24-25-22(30)16-4-6-18(31-2)7-5-16/h3-8,13,17H,9-12,14H2,1-2H3,(H,24,29)(H,25,30)
InChIKeyWAZQYCDVKFKYEY-UHFFFAOYSA-N
XLogP1.85
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 51.85
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

4-methoxy-N'-[2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetyl]benzohydrazide
CID 7436495
2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 1469614
N-(4-methoxyphenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide
CID 7406517
N-(3-fluorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide
CID 1469774
2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N,N-diphenylacetamide
CID 1469769
2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 1469613
N-(3-methylphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide
CID 1469631
2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 7436500
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide
CID 5003797
N-(2-hydroxyethyl)-4-[1-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]benzotriazol-5-yl]benzamide
CID 57405422
4-(5-methylbenzotriazol-1-yl)-N,N-diphenylpiperidine-1-carboxamide
CID 1469699
4-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]sulfonyl-N-(2-methylcyclohexyl)benzamide
CID 3219957

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N'-[2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetyl]benzohydrazide?
The IUPAC name of 4-methoxy-N'-[2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetyl]benzohydrazide (CID 3229067) is 4-methoxy-N'-[2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetyl]benzohydrazide.
What is the SMILES notation for 4-methoxy-N'-[2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetyl]benzohydrazide?
The canonical SMILES for 4-methoxy-N'-[2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetyl]benzohydrazide is COc1ccc(C(=O)NNC(=O)CN2CCC(n3nnc4cc(C)ccc43)CC2)cc1.
What is the InChIKey of 4-methoxy-N'-[2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetyl]benzohydrazide?
The InChIKey is WAZQYCDVKFKYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3/c1-15-3-8-20-19(13-15)23-26-28(20)17-9-11-27(12-10-17)14-21(29)24-25-22(30)16-4-6-18(31-2)7-5-16/h3-8,13,17H,9-12,14H2,1-2H3,(H,24,29)(H,25,30).
What are the key properties of 4-methoxy-N'-[2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetyl]benzohydrazide?
4-methoxy-N'-[2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetyl]benzohydrazide has a molecular weight of 422.49 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N'-[2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetyl]benzohydrazide is sourced from PubChem (CID 3229067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).