N-(1-benzyl-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

C20H21N5O2S — CID 55857162

IUPACN-(1-benzyl-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1ncn(Cc2ccccc2)n1)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C20H21N5O2S/c26-18(16-8-10-24(11-9-16)19(27)17-7-4-12-28-17)22-20-21-14-25(23-20)13-15-5-2-1-3-6-15/h1-7,12,14,16H,8-11,13H2,(H,22,23,26)
InChIKeyYBEBXOMWOVZVGN-UHFFFAOYSA-N
MW395.49 g/mol
LogP2.88
Rot. Bonds5

About N-(1-benzyl-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

N-(1-benzyl-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 55857162) has the molecular formula C20H21N5O2S and a molecular weight of 395.49 g/mol. Its IUPAC name is N-(1-benzyl-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID55857162
Molecular FormulaC20H21N5O2S
Molecular Weight395.49 g/mol
Exact Mass395.14
IUPAC NameN-(1-benzyl-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1ncn(Cc2ccccc2)n1)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C20H21N5O2S/c26-18(16-8-10-24(11-9-16)19(27)17-7-4-12-28-17)22-20-21-14-25(23-20)13-15-5-2-1-3-6-15/h1-7,12,14,16H,8-11,13H2,(H,22,23,26)
InChIKeyYBEBXOMWOVZVGN-UHFFFAOYSA-N
XLogP2.88
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-phenyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075464
N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224187
N-(3-phenylpropyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27647213
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 9400507
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
N-(1-benzyl-1,2,4-triazol-3-yl)-1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxamide
CID 55857681
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 31857710
N-(6-phenoxy-3-pyridinyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 42101147
N-[2-(diethylamino)-3-phenylpropyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 46413875
methyl 2-[4-[(1-benzyl-1,2,4-triazol-3-yl)carbamoyl]piperidin-1-yl]sulfonylbenzoate
CID 55857553
N-[2-(4-methylpiperazin-1-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 46820339
N-(5-propyl-1,3,4-thiadiazol-2-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224197

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(1-benzyl-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (CID 55857162) is N-(1-benzyl-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1-benzyl-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(1-benzyl-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is O=C(Nc1ncn(Cc2ccccc2)n1)C1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of N-(1-benzyl-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is YBEBXOMWOVZVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2S/c26-18(16-8-10-24(11-9-16)19(27)17-7-4-12-28-17)22-20-21-14-25(23-20)13-15-5-2-1-3-6-15/h1-7,12,14,16H,8-11,13H2,(H,22,23,26).
What are the key properties of N-(1-benzyl-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
N-(1-benzyl-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 395.49 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 55857162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).