N-(3-chlorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide

C20H22ClN5O — CID 1469737

IUPACN-(3-chlorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide
SMILESCc1ccc2c(c1)nnn2C1CCN(CC(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C20H22ClN5O/c1-14-5-6-19-18(11-14)23-24-26(19)17-7-9-25(10-8-17)13-20(27)22-16-4-2-3-15(21)12-16/h2-6,11-12,17H,7-10,13H2,1H3,(H,22,27)
InChIKeyZRDLCOAQLQMAMA-UHFFFAOYSA-N
MW383.88 g/mol
LogP3.67
Rot. Bonds4

About N-(3-chlorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide

N-(3-chlorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide (PubChem CID 1469737) has the molecular formula C20H22ClN5O and a molecular weight of 383.88 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide
PubChem CID1469737
Molecular FormulaC20H22ClN5O
Molecular Weight383.88 g/mol
Exact Mass383.15
IUPAC NameN-(3-chlorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide
SMILESCc1ccc2c(c1)nnn2C1CCN(CC(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C20H22ClN5O/c1-14-5-6-19-18(11-14)23-24-26(19)17-7-9-25(10-8-17)13-20(27)22-16-4-2-3-15(21)12-16/h2-6,11-12,17H,7-10,13H2,1H3,(H,22,27)
InChIKeyZRDLCOAQLQMAMA-UHFFFAOYSA-N
XLogP3.67
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-chlorophenyl)-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

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-(1H-benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(dimethylamino)phenyl]acetamide
CID 156907083
1-(4-Chloro-phenyl)-2-[4-(5-methyl-benzotriazol-1-yl)-piperidin-1-yl]-ethanone
CID 644473
2-(4-Benzotriazol-1-yl-piperidin-1-yl)-N-indan-5-yl-acetamide
CID 645302
2-[4-(5-Methyl-benzotriazol-1-yl)-piperidin-1-yl]-N-(2-morpholin-4-yl-phenyl)-acetamide
CID 648572
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-(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

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide (CID 1469737) is N-(3-chlorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide is Cc1ccc2c(c1)nnn2C1CCN(CC(=O)Nc2cccc(Cl)c2)CC1.
What is the InChIKey of N-(3-chlorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide?
The InChIKey is ZRDLCOAQLQMAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O/c1-14-5-6-19-18(11-14)23-24-26(19)17-7-9-25(10-8-17)13-20(27)22-16-4-2-3-15(21)12-16/h2-6,11-12,17H,7-10,13H2,1H3,(H,22,27).
What are the key properties of N-(3-chlorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide?
N-(3-chlorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide has a molecular weight of 383.88 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 1469737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).