N-[(2-fluorophenyl)methyl]-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide

C21H24FN5O — CID 1469777

IUPACN-[(2-fluorophenyl)methyl]-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide
SMILESCc1ccc2c(c1)nnn2C1CCN(CC(=O)NCc2ccccc2F)CC1
InChIInChI=1S/C21H24FN5O/c1-15-6-7-20-19(12-15)24-25-27(20)17-8-10-26(11-9-17)14-21(28)23-13-16-4-2-3-5-18(16)22/h2-7,12,17H,8-11,13-14H2,1H3,(H,23,28)
InChIKeyQFRCOWRHGCKFLJ-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.83
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide

N-[(2-fluorophenyl)methyl]-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide (PubChem CID 1469777) has the molecular formula C21H24FN5O and a molecular weight of 381.46 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide
PubChem CID1469777
Molecular FormulaC21H24FN5O
Molecular Weight381.46 g/mol
Exact Mass381.20
IUPAC NameN-[(2-fluorophenyl)methyl]-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide
SMILESCc1ccc2c(c1)nnn2C1CCN(CC(=O)NCc2ccccc2F)CC1
InChIInChI=1S/C21H24FN5O/c1-15-6-7-20-19(12-15)24-25-27(20)17-8-10-26(11-9-17)14-21(28)23-13-16-4-2-3-5-18(16)22/h2-7,12,17H,8-11,13-14H2,1H3,(H,23,28)
InChIKeyQFRCOWRHGCKFLJ-UHFFFAOYSA-N
XLogP2.83
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2-fluorophenyl)methyl]-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 3229070
CID 3229070
CID 863021
CID 863021
CID 733624
CID 733624
CID 156907378
CID 156907378
CID 645204
CID 645204
CID 645302
CID 645302
CID 645649
CID 645649
CID 648490
CID 648490
CID 648572
CID 648572
CID 650975
CID 650975
CID 652281
CID 652281
CID 652543
CID 652543

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide (CID 1469777) is N-[(2-fluorophenyl)methyl]-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide is Cc1ccc2c(c1)nnn2C1CCN(CC(=O)NCc2ccccc2F)CC1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide?
The InChIKey is QFRCOWRHGCKFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O/c1-15-6-7-20-19(12-15)24-25-27(20)17-8-10-26(11-9-17)14-21(28)23-13-16-4-2-3-5-18(16)22/h2-7,12,17H,8-11,13-14H2,1H3,(H,23,28).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide?
N-[(2-fluorophenyl)methyl]-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide has a molecular weight of 381.46 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 1469777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).