1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one

C16H21N3OS — CID 71926811

IUPAC1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one
SMILESCc1cc(C2CCCN(C(=O)CCc3ccsc3)C2)n[nH]1
InChIInChI=1S/C16H21N3OS/c1-12-9-15(18-17-12)14-3-2-7-19(10-14)16(20)5-4-13-6-8-21-11-13/h6,8-9,11,14H,2-5,7,10H2,1H3,(H,17,18)
InChIKeyRGKQFQQCPJWXRI-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.12
Rot. Bonds4

About 1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one

1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one (PubChem CID 71926811) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one.

Molecular Properties

Compound Name1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one
PubChem CID71926811
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one
SMILESCc1cc(C2CCCN(C(=O)CCc3ccsc3)C2)n[nH]1
InChIInChI=1S/C16H21N3OS/c1-12-9-15(18-17-12)14-3-2-7-19(10-14)16(20)5-4-13-6-8-21-11-13/h6,8-9,11,14H,2-5,7,10H2,1H3,(H,17,18)
InChIKeyRGKQFQQCPJWXRI-UHFFFAOYSA-N
XLogP3.12
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one with MolForge

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Related Compounds

1-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 96514407
(3S)-1-(3-thiophen-3-ylpropanoyl)piperidine-3-carboxylic acid
CID 119173609
1-[3-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 71926835
1-[3-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 96514400
2-(2,3-dihydro-1H-inden-5-yl)-1-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 96514421
2-(4-hydroxyphenyl)sulfanyl-1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 124848351
2-[benzyl(methyl)amino]-1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 97069110
1-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-propan-2-ylsulfonylethanone
CID 97069115
1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-propan-2-ylsulfonylethanone
CID 71871656
2-cyclopent-2-en-1-yl-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 71926754
2-(2-methoxyphenyl)-1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 96514522
2-[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 97004306

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one?
The IUPAC name of 1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one (CID 71926811) is 1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one.
What is the SMILES notation for 1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one?
The canonical SMILES for 1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one is Cc1cc(C2CCCN(C(=O)CCc3ccsc3)C2)n[nH]1.
What is the InChIKey of 1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one?
The InChIKey is RGKQFQQCPJWXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-12-9-15(18-17-12)14-3-2-7-19(10-14)16(20)5-4-13-6-8-21-11-13/h6,8-9,11,14H,2-5,7,10H2,1H3,(H,17,18).
What are the key properties of 1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one?
1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one has a molecular weight of 303.43 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one is sourced from PubChem (CID 71926811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).