1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one

C16H21N3OS — CID 56778852

IUPAC1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one
SMILESO=C(CCc1ccsc1)N1CCCCC1Cn1cccn1
InChIInChI=1S/C16H21N3OS/c20-16(6-5-14-7-11-21-13-14)19-10-2-1-4-15(19)12-18-9-3-8-17-18/h3,7-9,11,13,15H,1-2,4-6,10,12H2
InChIKeyJCULDDRVBQFGGO-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.96
Rot. Bonds5

About 1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one

1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one (PubChem CID 56778852) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one.

Molecular Properties

Compound Name1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one
PubChem CID56778852
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one
SMILESO=C(CCc1ccsc1)N1CCCCC1Cn1cccn1
InChIInChI=1S/C16H21N3OS/c20-16(6-5-14-7-11-21-13-14)19-10-2-1-4-15(19)12-18-9-3-8-17-18/h3,7-9,11,13,15H,1-2,4-6,10,12H2
InChIKeyJCULDDRVBQFGGO-UHFFFAOYSA-N
XLogP2.96
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-pyrazol-1-ylpropanamide
CID 45818631
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-pyrazol-1-ylacetamide
CID 53499394
5-(3-Pyrazol-1-ylpiperidine-1-carbonyl)thiophene-3-carboxamide
CID 53557767
1-[3-(4-Methylpyrazol-1-yl)piperidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone
CID 53566949
1-[4-[(1-Ethylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-3-thiophen-2-ylpropan-1-one
CID 53572772
1-[4-[(1-Ethylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone
CID 53579354
(2,5-Dimethylthiophen-3-yl)-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 53593886
N-methyl-2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 53603259
1-[2-[(4-Methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 53618863
2-[2-(Pyrazol-1-ylmethyl)piperidine-1-carbonyl]thiophene-3-carbonitrile
CID 53621101
1-[2-[(4-Methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 53624600
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 53626469

Frequently Asked Questions

What is the IUPAC name of 1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one?
The IUPAC name of 1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one (CID 56778852) is 1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one.
What is the SMILES notation for 1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one?
The canonical SMILES for 1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one is O=C(CCc1ccsc1)N1CCCCC1Cn1cccn1.
What is the InChIKey of 1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one?
The InChIKey is JCULDDRVBQFGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c20-16(6-5-14-7-11-21-13-14)19-10-2-1-4-15(19)12-18-9-3-8-17-18/h3,7-9,11,13,15H,1-2,4-6,10,12H2.
What are the key properties of 1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one?
1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one has a molecular weight of 303.43 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one is sourced from PubChem (CID 56778852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).