N'-[2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetyl]furan-2-carbohydrazide

C19H22N6O3 — CID 3229048

IUPACN'-[2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetyl]furan-2-carbohydrazide
SMILESCc1ccc2c(c1)nnn2C1CCN(CC(=O)NNC(=O)c2ccco2)CC1
InChIInChI=1S/C19H22N6O3/c1-13-4-5-16-15(11-13)20-23-25(16)14-6-8-24(9-7-14)12-18(26)21-22-19(27)17-3-2-10-28-17/h2-5,10-11,14H,6-9,12H2,1H3,(H,21,26)(H,22,27)
InChIKeyUBEUPRAXQBVXBK-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.43
Rot. Bonds4

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

N'-[2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetyl]furan-2-carbohydrazide (PubChem CID 3229048) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is N'-[2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetyl]furan-2-carbohydrazide
PubChem CID3229048
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC NameN'-[2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetyl]furan-2-carbohydrazide
SMILESCc1ccc2c(c1)nnn2C1CCN(CC(=O)NNC(=O)c2ccco2)CC1
InChIInChI=1S/C19H22N6O3/c1-13-4-5-16-15(11-13)20-23-25(16)14-6-8-24(9-7-14)12-18(26)21-22-19(27)17-3-2-10-28-17/h2-5,10-11,14H,6-9,12H2,1H3,(H,21,26)(H,22,27)
InChIKeyUBEUPRAXQBVXBK-UHFFFAOYSA-N
XLogP1.43
TPSA105.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.43
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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Frequently Asked Questions

What is the IUPAC name of N'-[2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetyl]furan-2-carbohydrazide?
The IUPAC name of N'-[2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetyl]furan-2-carbohydrazide (CID 3229048) is N'-[2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetyl]furan-2-carbohydrazide?
The canonical SMILES for N'-[2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetyl]furan-2-carbohydrazide is Cc1ccc2c(c1)nnn2C1CCN(CC(=O)NNC(=O)c2ccco2)CC1.
What is the InChIKey of N'-[2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetyl]furan-2-carbohydrazide?
The InChIKey is UBEUPRAXQBVXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3/c1-13-4-5-16-15(11-13)20-23-25(16)14-6-8-24(9-7-14)12-18(26)21-22-19(27)17-3-2-10-28-17/h2-5,10-11,14H,6-9,12H2,1H3,(H,21,26)(H,22,27).
What are the key properties of N'-[2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetyl]furan-2-carbohydrazide?
N'-[2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetyl]furan-2-carbohydrazide has a molecular weight of 382.42 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetyl]furan-2-carbohydrazide is sourced from PubChem (CID 3229048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).