N-[1-[2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidin-4-yl]benzamide

C24H27N5O2S — CID 33309093

IUPACN-[1-[2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidin-4-yl]benzamide
SMILESCc1nnc(SCC(=O)N2CCC(NC(=O)c3ccccc3)CC2)n1Cc1ccccc1
InChIInChI=1S/C24H27N5O2S/c1-18-26-27-24(29(18)16-19-8-4-2-5-9-19)32-17-22(30)28-14-12-21(13-15-28)25-23(31)20-10-6-3-7-11-20/h2-11,21H,12-17H2,1H3,(H,25,31)
InChIKeyOPWLFAXTQDIYSJ-UHFFFAOYSA-N
MW449.58 g/mol
LogP3.15
Rot. Bonds7

About N-[1-[2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidin-4-yl]benzamide

N-[1-[2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidin-4-yl]benzamide (PubChem CID 33309093) has the molecular formula C24H27N5O2S and a molecular weight of 449.58 g/mol. Its IUPAC name is N-[1-[2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidin-4-yl]benzamide
PubChem CID33309093
Molecular FormulaC24H27N5O2S
Molecular Weight449.58 g/mol
Exact Mass449.19
IUPAC NameN-[1-[2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidin-4-yl]benzamide
SMILESCc1nnc(SCC(=O)N2CCC(NC(=O)c3ccccc3)CC2)n1Cc1ccccc1
InChIInChI=1S/C24H27N5O2S/c1-18-26-27-24(29(18)16-19-8-4-2-5-9-19)32-17-22(30)28-14-12-21(13-15-28)25-23(31)20-10-6-3-7-11-20/h2-11,21H,12-17H2,1H3,(H,25,31)
InChIKeyOPWLFAXTQDIYSJ-UHFFFAOYSA-N
XLogP3.15
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidin-4-yl]benzamide with MolForge

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Related Compounds

1-(azepan-1-yl)-2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 78764585
2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 112759330
2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2,6-dimethylphenoxy)piperidin-1-yl]ethanone
CID 55859452
2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone
CID 7442837
2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]ethanone
CID 55754097
2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(3-hydroxyphenyl)piperazin-1-yl]ethanone
CID 112800573
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
N-[1-[2-(methylamino)acetyl]piperidin-4-yl]benzamide
CID 119698218
N-(1-benzylpiperidin-4-yl)-4-propan-2-ylbenzamide
CID 26681867
ethyl 4-[[2-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]piperidine-1-carboxylate
CID 46606199
N-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]benzamide
CID 34423890
N-[1-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]piperidin-4-yl]benzamide
CID 33308748

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidin-4-yl]benzamide (CID 33309093) is N-[1-[2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidin-4-yl]benzamide is Cc1nnc(SCC(=O)N2CCC(NC(=O)c3ccccc3)CC2)n1Cc1ccccc1.
What is the InChIKey of N-[1-[2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidin-4-yl]benzamide?
The InChIKey is OPWLFAXTQDIYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2S/c1-18-26-27-24(29(18)16-19-8-4-2-5-9-19)32-17-22(30)28-14-12-21(13-15-28)25-23(31)20-10-6-3-7-11-20/h2-11,21H,12-17H2,1H3,(H,25,31).
What are the key properties of N-[1-[2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidin-4-yl]benzamide?
N-[1-[2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidin-4-yl]benzamide has a molecular weight of 449.58 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 33309093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).