5-methyl-N-phenyl-1-piperidin-4-yl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide

C20H23N5OS — CID 119767433

IUPAC5-methyl-N-phenyl-1-piperidin-4-yl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide
SMILESCc1c(C(=O)N(Cc2ccsc2)c2ccccc2)nnn1C1CCNCC1
InChIInChI=1S/C20H23N5OS/c1-15-19(22-23-25(15)18-7-10-21-11-8-18)20(26)24(13-16-9-12-27-14-16)17-5-3-2-4-6-17/h2-6,9,12,14,18,21H,7-8,10-11,13H2,1H3
InChIKeyZYXCULRKJMCSKM-UHFFFAOYSA-N
MW381.50 g/mol
LogP3.42
Rot. Bonds5

About 5-methyl-N-phenyl-1-piperidin-4-yl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide

5-methyl-N-phenyl-1-piperidin-4-yl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide (PubChem CID 119767433) has the molecular formula C20H23N5OS and a molecular weight of 381.50 g/mol. Its IUPAC name is 5-methyl-N-phenyl-1-piperidin-4-yl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-phenyl-1-piperidin-4-yl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide
PubChem CID119767433
Molecular FormulaC20H23N5OS
Molecular Weight381.50 g/mol
Exact Mass381.16
IUPAC Name5-methyl-N-phenyl-1-piperidin-4-yl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide
SMILESCc1c(C(=O)N(Cc2ccsc2)c2ccccc2)nnn1C1CCNCC1
InChIInChI=1S/C20H23N5OS/c1-15-19(22-23-25(15)18-7-10-21-11-8-18)20(26)24(13-16-9-12-27-14-16)17-5-3-2-4-6-17/h2-6,9,12,14,18,21H,7-8,10-11,13H2,1H3
InChIKeyZYXCULRKJMCSKM-UHFFFAOYSA-N
XLogP3.42
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-5-methyl-N-(4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 166228127
N-phenyl-1-piperidin-4-yl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide;hydrochloride
CID 119767436
N-benzyl-N-butan-2-yl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119688822
N-phenyl-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119314158
N-ethyl-5-methyl-N-(2-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119736297
N-[(3-fluorophenyl)methyl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119681572
N-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119799769
N,5-dimethyl-1-piperidin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
CID 119737494
5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119772189
N-(2,2-diphenylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119688023
N-(2,3-dihydro-1H-inden-2-yl)-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119746179
N-[(2-methoxyphenyl)methyl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119681231

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-phenyl-1-piperidin-4-yl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide?
The IUPAC name of 5-methyl-N-phenyl-1-piperidin-4-yl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide (CID 119767433) is 5-methyl-N-phenyl-1-piperidin-4-yl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-phenyl-1-piperidin-4-yl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-phenyl-1-piperidin-4-yl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide is Cc1c(C(=O)N(Cc2ccsc2)c2ccccc2)nnn1C1CCNCC1.
What is the InChIKey of 5-methyl-N-phenyl-1-piperidin-4-yl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide?
The InChIKey is ZYXCULRKJMCSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-15-19(22-23-25(15)18-7-10-21-11-8-18)20(26)24(13-16-9-12-27-14-16)17-5-3-2-4-6-17/h2-6,9,12,14,18,21H,7-8,10-11,13H2,1H3.
What are the key properties of 5-methyl-N-phenyl-1-piperidin-4-yl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide?
5-methyl-N-phenyl-1-piperidin-4-yl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide has a molecular weight of 381.50 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-phenyl-1-piperidin-4-yl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 119767433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).