N-(4-piperidin-1-ylphenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C18H25N5OS — CID 7603409

IUPACN-(4-piperidin-1-ylphenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCC(C)n1cnnc1SCC(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C18H25N5OS/c1-14(2)23-13-19-21-18(23)25-12-17(24)20-15-6-8-16(9-7-15)22-10-4-3-5-11-22/h6-9,13-14H,3-5,10-12H2,1-2H3,(H,20,24)
InChIKeyYFTCOTBKAXBDJO-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.58
Rot. Bonds6

About N-(4-piperidin-1-ylphenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(4-piperidin-1-ylphenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 7603409) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is N-(4-piperidin-1-ylphenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-piperidin-1-ylphenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID7603409
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC NameN-(4-piperidin-1-ylphenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCC(C)n1cnnc1SCC(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C18H25N5OS/c1-14(2)23-13-19-21-18(23)25-12-17(24)20-15-6-8-16(9-7-15)22-10-4-3-5-11-22/h6-9,13-14H,3-5,10-12H2,1-2H3,(H,20,24)
InChIKeyYFTCOTBKAXBDJO-UHFFFAOYSA-N
XLogP3.58
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-(4-piperidin-1-ylphenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-1-ylphenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-piperidin-1-ylphenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 7603409) is N-(4-piperidin-1-ylphenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-piperidin-1-ylphenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-piperidin-1-ylphenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CC(C)n1cnnc1SCC(=O)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of N-(4-piperidin-1-ylphenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is YFTCOTBKAXBDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-14(2)23-13-19-21-18(23)25-12-17(24)20-15-6-8-16(9-7-15)22-10-4-3-5-11-22/h6-9,13-14H,3-5,10-12H2,1-2H3,(H,20,24).
What are the key properties of N-(4-piperidin-1-ylphenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(4-piperidin-1-ylphenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 359.50 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-1-ylphenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 7603409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).