N-[2-methyl-1-oxo-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-yl]thiophene-2-carboxamide

C17H22N4O2S — CID 56756895

IUPACN-[2-methyl-1-oxo-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-yl]thiophene-2-carboxamide
SMILESCC(C)(NC(=O)c1cccs1)C(=O)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C17H22N4O2S/c1-17(2,19-15(22)14-6-4-10-24-14)16(23)21-9-3-5-12(11-21)13-7-8-18-20-13/h4,6-8,10,12H,3,5,9,11H2,1-2H3,(H,18,20)(H,19,22)
InChIKeyYNWCJCWADCCYAG-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.39
Rot. Bonds4

About N-[2-methyl-1-oxo-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-yl]thiophene-2-carboxamide

N-[2-methyl-1-oxo-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-yl]thiophene-2-carboxamide (PubChem CID 56756895) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is N-[2-methyl-1-oxo-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-1-oxo-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-yl]thiophene-2-carboxamide
PubChem CID56756895
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC NameN-[2-methyl-1-oxo-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-yl]thiophene-2-carboxamide
SMILESCC(C)(NC(=O)c1cccs1)C(=O)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C17H22N4O2S/c1-17(2,19-15(22)14-6-4-10-24-14)16(23)21-9-3-5-12(11-21)13-7-8-18-20-13/h4,6-8,10,12H,3,5,9,11H2,1-2H3,(H,18,20)(H,19,22)
InChIKeyYNWCJCWADCCYAG-UHFFFAOYSA-N
XLogP2.39
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

{1-[(5-isopropyl-1H-pyrazol-3-yl)methyl]piperidin-3-yl}(3-methyl-2-thienyl)methanone
CID 16192189
(3-methyl-2-thienyl)[1-(1H-pyrazol-3-ylmethyl)piperidin-3-yl]methanone
CID 16188542
US9776991, Example 13
CID 139208211
N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenyl-1H-pyrazole-5-carboxamide
CID 3216056
[4-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 24792095
1-{[3-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl}-4-(2-thienylcarbonyl)piperazine
CID 24793141
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 95265878
N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 3153689
N-((1H-Pyrazol-3-yl)methyl)-5-fluorothiophene-2-carboxamide
CID 119056288
2-[(2,2-dimethylpropanoyl)amino]-N,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)thiophene-3-carboxamide
CID 46999137
1-[3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 49676923
(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 53498731

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-oxo-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[2-methyl-1-oxo-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-yl]thiophene-2-carboxamide (CID 56756895) is N-[2-methyl-1-oxo-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-methyl-1-oxo-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-methyl-1-oxo-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-yl]thiophene-2-carboxamide is CC(C)(NC(=O)c1cccs1)C(=O)N1CCCC(c2ccn[nH]2)C1.
What is the InChIKey of N-[2-methyl-1-oxo-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-yl]thiophene-2-carboxamide?
The InChIKey is YNWCJCWADCCYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-17(2,19-15(22)14-6-4-10-24-14)16(23)21-9-3-5-12(11-21)13-7-8-18-20-13/h4,6-8,10,12H,3,5,9,11H2,1-2H3,(H,18,20)(H,19,22).
What are the key properties of N-[2-methyl-1-oxo-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-yl]thiophene-2-carboxamide?
N-[2-methyl-1-oxo-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-yl]thiophene-2-carboxamide has a molecular weight of 346.46 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-oxo-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 56756895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).