5-[2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]thiophene-3-carboxamide

C16H20N4O2S — CID 56779106

IUPAC5-[2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]thiophene-3-carboxamide
SMILESCc1cnn(CC2CCCCN2C(=O)c2cc(C(N)=O)cs2)c1
InChIInChI=1S/C16H20N4O2S/c1-11-7-18-19(8-11)9-13-4-2-3-5-20(13)16(22)14-6-12(10-23-14)15(17)21/h6-8,10,13H,2-5,9H2,1H3,(H2,17,21)
InChIKeyPQJSULGRANULPM-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.05
Rot. Bonds4

About 5-[2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]thiophene-3-carboxamide

5-[2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]thiophene-3-carboxamide (PubChem CID 56779106) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 5-[2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]thiophene-3-carboxamide
PubChem CID56779106
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name5-[2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]thiophene-3-carboxamide
SMILESCc1cnn(CC2CCCCN2C(=O)c2cc(C(N)=O)cs2)c1
InChIInChI=1S/C16H20N4O2S/c1-11-7-18-19(8-11)9-13-4-2-3-5-20(13)16(22)14-6-12(10-23-14)15(17)21/h6-8,10,13H,2-5,9H2,1H3,(H2,17,21)
InChIKeyPQJSULGRANULPM-UHFFFAOYSA-N
XLogP2.05
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]thiophene-3-carboxamide?
The IUPAC name of 5-[2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]thiophene-3-carboxamide (CID 56779106) is 5-[2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]thiophene-3-carboxamide is Cc1cnn(CC2CCCCN2C(=O)c2cc(C(N)=O)cs2)c1.
What is the InChIKey of 5-[2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]thiophene-3-carboxamide?
The InChIKey is PQJSULGRANULPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-11-7-18-19(8-11)9-13-4-2-3-5-20(13)16(22)14-6-12(10-23-14)15(17)21/h6-8,10,13H,2-5,9H2,1H3,(H2,17,21).
What are the key properties of 5-[2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]thiophene-3-carboxamide?
5-[2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]thiophene-3-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]thiophene-3-carboxamide is sourced from PubChem (CID 56779106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).