2-piperidin-1-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide

C20H22N4OS — CID 156574582

IUPAC2-piperidin-1-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide
SMILESO=C(NCc1cc(-c2cccs2)n[nH]1)c1ccccc1N1CCCCC1
InChIInChI=1S/C20H22N4OS/c25-20(16-7-2-3-8-18(16)24-10-4-1-5-11-24)21-14-15-13-17(23-22-15)19-9-6-12-26-19/h2-3,6-9,12-13H,1,4-5,10-11,14H2,(H,21,25)(H,22,23)
InChIKeyVOUDTEZBNRBSQS-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.06
Rot. Bonds5

About 2-piperidin-1-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide

2-piperidin-1-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide (PubChem CID 156574582) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is 2-piperidin-1-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name2-piperidin-1-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide
PubChem CID156574582
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name2-piperidin-1-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide
SMILESO=C(NCc1cc(-c2cccs2)n[nH]1)c1ccccc1N1CCCCC1
InChIInChI=1S/C20H22N4OS/c25-20(16-7-2-3-8-18(16)24-10-4-1-5-11-24)21-14-15-13-17(23-22-15)19-9-6-12-26-19/h2-3,6-9,12-13H,1,4-5,10-11,14H2,(H,21,25)(H,22,23)
InChIKeyVOUDTEZBNRBSQS-UHFFFAOYSA-N
XLogP4.06
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-(3-((4-methylpiperazin-1-yl)methyl)styryl)-1H-indazol-5-yl)-2-(thiophen-2-yl)acetamide
CID 23583059
N-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]-4-methyl-5-phenyl-2-thiophenecarboxamide
CID 1244268
N-[2-[6-oxo-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]phenyl]acetamide
CID 58365242
N-methyl-2-[6-oxo-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]benzamide
CID 58365249
4-(2-Aminophenyl)-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58365457
N-methyl-N-[2-[6-oxo-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]phenyl]acetamide
CID 58365968
N-{1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-3-yl}thiophene-3-carboxamide
CID 91887878
N-[5-[[(2S)-1-amino-4-cyclohexyl-1-oxobutan-2-yl]carbamoyl]thiophen-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 155563610
N-[2-(diethylamino)ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide;hydrochloride
CID 9551906
1H-indazol-3-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 17394946
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 24687329
N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 24687753

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide?
The IUPAC name of 2-piperidin-1-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide (CID 156574582) is 2-piperidin-1-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide.
What is the SMILES notation for 2-piperidin-1-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide?
The canonical SMILES for 2-piperidin-1-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide is O=C(NCc1cc(-c2cccs2)n[nH]1)c1ccccc1N1CCCCC1.
What is the InChIKey of 2-piperidin-1-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide?
The InChIKey is VOUDTEZBNRBSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c25-20(16-7-2-3-8-18(16)24-10-4-1-5-11-24)21-14-15-13-17(23-22-15)19-9-6-12-26-19/h2-3,6-9,12-13H,1,4-5,10-11,14H2,(H,21,25)(H,22,23).
What are the key properties of 2-piperidin-1-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide?
2-piperidin-1-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide has a molecular weight of 366.49 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide is sourced from PubChem (CID 156574582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).