N-benzyl-4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide

C18H25N5OS — CID 3231961

IUPACN-benzyl-4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCCn1c(SC)nnc1C1CCN(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C18H25N5OS/c1-3-23-16(20-21-18(23)25-2)15-9-11-22(12-10-15)17(24)19-13-14-7-5-4-6-8-14/h4-8,15H,3,9-13H2,1-2H3,(H,19,24)
InChIKeySOCUXKAZHKPTDN-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.11
Rot. Bonds5

About N-benzyl-4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide

N-benzyl-4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide (PubChem CID 3231961) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is N-benzyl-4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
PubChem CID3231961
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC NameN-benzyl-4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCCn1c(SC)nnc1C1CCN(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C18H25N5OS/c1-3-23-16(20-21-18(23)25-2)15-9-11-22(12-10-15)17(24)19-13-14-7-5-4-6-8-14/h4-8,15H,3,9-13H2,1-2H3,(H,19,24)
InChIKeySOCUXKAZHKPTDN-UHFFFAOYSA-N
XLogP3.11
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-benzyl-4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide 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

N-benzyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide
CID 24664708
N-benzyl-4-methylpiperidine-1-carboxamide
CID 18715459
2-[1-(benzylcarbamoyl)piperidin-4-yl]benzoic acid
CID 166237312
N-benzyl-4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidine-1-carboxamide
CID 110405406
(2S)-1-(4-benzylpiperidin-1-yl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one
CID 8959865
N-benzyl-4-hydroxy-3-methylpiperidine-1-carboxamide
CID 104954561
2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]propanamide
CID 17479395
2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 34108484
[(3S)-3-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-phenylphenyl)methanone
CID 7451287
[3-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-phenylphenyl)methanone
CID 6489428
N-benzyl-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 71781180
4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)-N-(naphthalen-1-ylmethyl)piperidine-1-carboxamide
CID 121115629

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-benzyl-4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide (CID 3231961) is N-benzyl-4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-benzyl-4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide is CCn1c(SC)nnc1C1CCN(C(=O)NCc2ccccc2)CC1.
What is the InChIKey of N-benzyl-4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The InChIKey is SOCUXKAZHKPTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-3-23-16(20-21-18(23)25-2)15-9-11-22(12-10-15)17(24)19-13-14-7-5-4-6-8-14/h4-8,15H,3,9-13H2,1-2H3,(H,19,24).
What are the key properties of N-benzyl-4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
N-benzyl-4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 3231961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).