2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide

C24H30N6O2 — CID 648572

IUPAC2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide
SMILESCc1ccc2c(c1)nnn2C1CCN(CC(=O)Nc2ccccc2N2CCOCC2)CC1
InChIInChI=1S/C24H30N6O2/c1-18-6-7-23-21(16-18)26-27-30(23)19-8-10-28(11-9-19)17-24(31)25-20-4-2-3-5-22(20)29-12-14-32-15-13-29/h2-7,16,19H,8-15,17H2,1H3,(H,25,31)
InChIKeyQOGUFYSIFAGJFQ-UHFFFAOYSA-N
MW434.54 g/mol
LogP2.85
Rot. Bonds5

About 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide

2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide (PubChem CID 648572) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide
PubChem CID648572
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC Name2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide
SMILESCc1ccc2c(c1)nnn2C1CCN(CC(=O)Nc2ccccc2N2CCOCC2)CC1
InChIInChI=1S/C24H30N6O2/c1-18-6-7-23-21(16-18)26-27-30(23)19-8-10-28(11-9-19)17-24(31)25-20-4-2-3-5-22(20)29-12-14-32-15-13-29/h2-7,16,19H,8-15,17H2,1H3,(H,25,31)
InChIKeyQOGUFYSIFAGJFQ-UHFFFAOYSA-N
XLogP2.85
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(m-tolyl)acetamide
CID 863021
2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(p-tolyl)acetamide
CID 733624
2-(4-Benzotriazol-1-yl-piperidin-1-yl)-N-indan-5-yl-acetamide
CID 645302
2-[4-(5-Fluoro-benzotriazol-1-yl)-piperidin-1-yl]-N-indan-5-yl-acetamide
CID 652543
Cyclohexyl-[4-(5-methyl-benzotriazol-1-yl)-piperidin-1-yl]-methanone
CID 654720
3-(benzotriazol-1-yl)-N-(4-methylphenyl)propanamide
CID 863078
2-Methoxy-1-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]ethanone
CID 1469604
2-(4-Benzotriazol-1-yl-piperidin-1-yl)-N-o-tolyl-acetamide
CID 1469608
N-Indan-5-yl-2-[4-(5-trifluoromethyl-benzotriazol-1-yl)-piperidin-1-yl]-acetamide
CID 1469680
4-(5-methylbenzotriazol-1-yl)-N-(2-methylphenyl)piperidine-1-carboxamide
CID 1469707
2-[(2-Benzotriazol-1-yl-acetyl)-butyl-amino]-N-(2-methoxy-ethyl)-2-phenyl-acetamide
CID 3212034
2-(benzotriazol-1-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-(4-methylphenyl)acetamide
CID 3212217

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide (CID 648572) is 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide is Cc1ccc2c(c1)nnn2C1CCN(CC(=O)Nc2ccccc2N2CCOCC2)CC1.
What is the InChIKey of 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide?
The InChIKey is QOGUFYSIFAGJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-18-6-7-23-21(16-18)26-27-30(23)19-8-10-28(11-9-19)17-24(31)25-20-4-2-3-5-22(20)29-12-14-32-15-13-29/h2-7,16,19H,8-15,17H2,1H3,(H,25,31).
What are the key properties of 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide?
2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide has a molecular weight of 434.54 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 648572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).