5-[2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]thiophene-3-carboxamide

C15H18N4O2S — CID 56778921

IUPAC5-[2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]thiophene-3-carboxamide
SMILESNC(=O)c1csc(C(=O)N2CCCCC2Cn2cccn2)c1
InChIInChI=1S/C15H18N4O2S/c16-14(20)11-8-13(22-10-11)15(21)19-7-2-1-4-12(19)9-18-6-3-5-17-18/h3,5-6,8,10,12H,1-2,4,7,9H2,(H2,16,20)
InChIKeyQTUGWGXCDNOYPN-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.74
Rot. Bonds4

About 5-[2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]thiophene-3-carboxamide

5-[2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]thiophene-3-carboxamide (PubChem CID 56778921) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 5-[2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]thiophene-3-carboxamide
PubChem CID56778921
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name5-[2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]thiophene-3-carboxamide
SMILESNC(=O)c1csc(C(=O)N2CCCCC2Cn2cccn2)c1
InChIInChI=1S/C15H18N4O2S/c16-14(20)11-8-13(22-10-11)15(21)19-7-2-1-4-12(19)9-18-6-3-5-17-18/h3,5-6,8,10,12H,1-2,4,7,9H2,(H2,16,20)
InChIKeyQTUGWGXCDNOYPN-UHFFFAOYSA-N
XLogP1.74
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]thiophene-3-carboxamide?
The IUPAC name of 5-[2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]thiophene-3-carboxamide (CID 56778921) is 5-[2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]thiophene-3-carboxamide is NC(=O)c1csc(C(=O)N2CCCCC2Cn2cccn2)c1.
What is the InChIKey of 5-[2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]thiophene-3-carboxamide?
The InChIKey is QTUGWGXCDNOYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c16-14(20)11-8-13(22-10-11)15(21)19-7-2-1-4-12(19)9-18-6-3-5-17-18/h3,5-6,8,10,12H,1-2,4,7,9H2,(H2,16,20).
What are the key properties of 5-[2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]thiophene-3-carboxamide?
5-[2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]thiophene-3-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]thiophene-3-carboxamide is sourced from PubChem (CID 56778921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).