N-(1-methylpyrazol-4-yl)-1-(thiophene-3-carbonyl)piperidine-4-carboxamide

C15H18N4O2S — CID 32609210

IUPACN-(1-methylpyrazol-4-yl)-1-(thiophene-3-carbonyl)piperidine-4-carboxamide
SMILESCn1cc(NC(=O)C2CCN(C(=O)c3ccsc3)CC2)cn1
InChIInChI=1S/C15H18N4O2S/c1-18-9-13(8-16-18)17-14(20)11-2-5-19(6-3-11)15(21)12-4-7-22-10-12/h4,7-11H,2-3,5-6H2,1H3,(H,17,20)
InChIKeyYSTKNVPPXAENLT-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.97
Rot. Bonds3

About N-(1-methylpyrazol-4-yl)-1-(thiophene-3-carbonyl)piperidine-4-carboxamide

N-(1-methylpyrazol-4-yl)-1-(thiophene-3-carbonyl)piperidine-4-carboxamide (PubChem CID 32609210) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)-1-(thiophene-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)-1-(thiophene-3-carbonyl)piperidine-4-carboxamide
PubChem CID32609210
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC NameN-(1-methylpyrazol-4-yl)-1-(thiophene-3-carbonyl)piperidine-4-carboxamide
SMILESCn1cc(NC(=O)C2CCN(C(=O)c3ccsc3)CC2)cn1
InChIInChI=1S/C15H18N4O2S/c1-18-9-13(8-16-18)17-14(20)11-2-5-19(6-3-11)15(21)12-4-7-22-10-12/h4,7-11H,2-3,5-6H2,1H3,(H,17,20)
InChIKeyYSTKNVPPXAENLT-UHFFFAOYSA-N
XLogP1.97
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-{1-[2-(1,2-oxazinan-2-yl)-2-oxoethyl]-1H-pyrazol-4-yl}-3-thiophenecarboxamide
CID 26278203
N-(1-pyrazol-1-ylpropan-2-yl)thiophene-3-carboxamide
CID 43074999
3-methyl-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]thiophene-2-carboxamide
CID 72010664
[1-[(1-Methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone
CID 97397004
3-(1-Methylpyrazol-4-yl)-8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 118739604
6-Methyl-9-(1-methylpyrazol-4-yl)-2-(thiophene-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 118745524
N-(1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-pyrazol-4-yl)thiophene-3-carboxamide
CID 90622221
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-methylthiophene-2-carboxamide
CID 47057481
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(thiophene-3-carbonyl)piperazine-1-carboxamide
CID 132374347
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]thiophene-3-carboxamide
CID 60322788
4-pyrazol-1-yl-1-(thiophene-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 155876366
N-[1-[2-oxo-2-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]pyrazol-4-yl]thiophene-3-carboxamide
CID 42238574

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)-1-(thiophene-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(1-methylpyrazol-4-yl)-1-(thiophene-3-carbonyl)piperidine-4-carboxamide (CID 32609210) is N-(1-methylpyrazol-4-yl)-1-(thiophene-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)-1-(thiophene-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(1-methylpyrazol-4-yl)-1-(thiophene-3-carbonyl)piperidine-4-carboxamide is Cn1cc(NC(=O)C2CCN(C(=O)c3ccsc3)CC2)cn1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)-1-(thiophene-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is YSTKNVPPXAENLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-18-9-13(8-16-18)17-14(20)11-2-5-19(6-3-11)15(21)12-4-7-22-10-12/h4,7-11H,2-3,5-6H2,1H3,(H,17,20).
What are the key properties of N-(1-methylpyrazol-4-yl)-1-(thiophene-3-carbonyl)piperidine-4-carboxamide?
N-(1-methylpyrazol-4-yl)-1-(thiophene-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)-1-(thiophene-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 32609210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).