N-[2-[1-[[5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]acetamide

C20H26N4O2S — CID 42244504

IUPACN-[2-[1-[[5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccnn1C1CCN(Cc2ccc(C#CC(C)(C)O)s2)CC1
InChIInChI=1S/C20H26N4O2S/c1-15(25)22-19-7-11-21-24(19)16-8-12-23(13-9-16)14-18-5-4-17(27-18)6-10-20(2,3)26/h4-5,7,11,16,26H,8-9,12-14H2,1-3H3,(H,22,25)
InChIKeyGCMUGCLBNXTARS-UHFFFAOYSA-N
MW386.52 g/mol
LogP2.86
Rot. Bonds4

About N-[2-[1-[[5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]acetamide

N-[2-[1-[[5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]acetamide (PubChem CID 42244504) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[2-[1-[[5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[1-[[5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]acetamide
PubChem CID42244504
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC NameN-[2-[1-[[5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccnn1C1CCN(Cc2ccc(C#CC(C)(C)O)s2)CC1
InChIInChI=1S/C20H26N4O2S/c1-15(25)22-19-7-11-21-24(19)16-8-12-23(13-9-16)14-18-5-4-17(27-18)6-10-20(2,3)26/h4-5,7,11,16,26H,8-9,12-14H2,1-3H3,(H,22,25)
InChIKeyGCMUGCLBNXTARS-UHFFFAOYSA-N
XLogP2.86
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[1-[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 24817721
N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
CID 56701108
3-[1-[[5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl]methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 42521304
N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide
CID 42567771
3-[1-[[5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl]methyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 25383579
2,2-dimethyl-N-[2-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]pyrazol-3-yl]propanamide
CID 42522227
(4-chlorophenyl)-[1-[[5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl]methyl]piperidin-3-yl]methanone
CID 45193687
4-[5-[[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]thiophen-2-yl]-2-methylbut-3-yn-2-ol
CID 131896095
N-[2-[1-(2-amino-2-oxoethyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide
CID 56745480
2,2-dimethyl-N-[2-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]pyrazol-3-yl]propanamide
CID 56740401
1-[2-[1-(1-benzothiophen-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methylphenyl)urea
CID 26329645
N-[2-[1-(1-benzothiophen-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 26334914

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[[5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]acetamide?
The IUPAC name of N-[2-[1-[[5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]acetamide (CID 42244504) is N-[2-[1-[[5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[2-[1-[[5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]acetamide?
The canonical SMILES for N-[2-[1-[[5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]acetamide is CC(=O)Nc1ccnn1C1CCN(Cc2ccc(C#CC(C)(C)O)s2)CC1.
What is the InChIKey of N-[2-[1-[[5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]acetamide?
The InChIKey is GCMUGCLBNXTARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-15(25)22-19-7-11-21-24(19)16-8-12-23(13-9-16)14-18-5-4-17(27-18)6-10-20(2,3)26/h4-5,7,11,16,26H,8-9,12-14H2,1-3H3,(H,22,25).
What are the key properties of N-[2-[1-[[5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]acetamide?
N-[2-[1-[[5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]acetamide has a molecular weight of 386.52 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[[5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 42244504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).