[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]-thiophen-3-ylmethanone

C15H21N5OS — CID 28854595

IUPAC[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]-thiophen-3-ylmethanone
SMILESCNCc1cn(CC2CCN(C(=O)c3ccsc3)CC2)nn1
InChIInChI=1S/C15H21N5OS/c1-16-8-14-10-20(18-17-14)9-12-2-5-19(6-3-12)15(21)13-4-7-22-11-13/h4,7,10-12,16H,2-3,5-6,8-9H2,1H3
InChIKeyBHAFDOCLXOONHP-UHFFFAOYSA-N
MW319.43 g/mol
LogP1.61
Rot. Bonds5

About [4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]-thiophen-3-ylmethanone

[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]-thiophen-3-ylmethanone (PubChem CID 28854595) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is [4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]-thiophen-3-ylmethanone
PubChem CID28854595
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]-thiophen-3-ylmethanone
SMILESCNCc1cn(CC2CCN(C(=O)c3ccsc3)CC2)nn1
InChIInChI=1S/C15H21N5OS/c1-16-8-14-10-20(18-17-14)9-12-2-5-19(6-3-12)15(21)13-4-7-22-11-13/h4,7,10-12,16H,2-3,5-6,8-9H2,1H3
InChIKeyBHAFDOCLXOONHP-UHFFFAOYSA-N
XLogP1.61
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-[1-(cyanomethyl)triazol-4-yl]-1-(4-methylcyclohexyl)ethyl]thiophene-3-carboxamide
CID 69924862
N-[(S)-[1-[(1R)-1-cyanoethyl]triazol-4-yl]-cyclohexylmethyl]thiophene-3-carboxamide
CID 71459754
N-[(2S)-2-{1-[(1S)-1-cyanopentyl]-1H-1,2,3-triazol-4-yl}-3-methylbutan-2-yl]thiophene-3-carboxamide
CID 16090560
N-[(1S)-1-{1-[(1S)-1-cyanopentyl]-1H-1,2,3-triazol-4-yl}-1-cyclohexylethyl]thiophene-3-carboxamide
CID 16090562
N-[(1S)-1-[1-[(1R)-1-cyanoethyl]triazol-4-yl]-1-(4-methylcyclohexyl)ethyl]thiophene-3-carboxamide
CID 71450700
N-[(1S)-1-[1-(2-cyanopropan-2-yl)triazol-4-yl]-1-(4-methylcyclohexyl)ethyl]thiophene-3-carboxamide
CID 71454285
N-[(1S)-1-[1-[(1S)-1-cyanoethyl]triazol-4-yl]-1-(4-methylcyclohexyl)ethyl]thiophene-3-carboxamide
CID 71457841
N-[(1S)-1-[1-[(1R)-1-cyanoethyl]triazol-4-yl]-1-cyclohexylethyl]thiophene-3-carboxamide
CID 71463202
N-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-methylpropyl]thiophene-3-carboxamide
CID 69924681
N-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-cyclohexylethyl]thiophene-3-carboxamide
CID 69925195
N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]thiophene-3-carboxamide
CID 69925527
4-[(4-butyl-1H-1,2,3-triazol-1-yl)methyl]-1-(3-thienylcarbonyl)piperidine
CID 46996901

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]-thiophen-3-ylmethanone (CID 28854595) is [4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]-thiophen-3-ylmethanone is CNCc1cn(CC2CCN(C(=O)c3ccsc3)CC2)nn1.
What is the InChIKey of [4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is BHAFDOCLXOONHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-16-8-14-10-20(18-17-14)9-12-2-5-19(6-3-12)15(21)13-4-7-22-11-13/h4,7,10-12,16H,2-3,5-6,8-9H2,1H3.
What are the key properties of [4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]-thiophen-3-ylmethanone?
[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 319.43 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 28854595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).