2-(5-chlorothiophen-2-yl)-1-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanone

C15H18ClN3OS — CID 124873723

IUPAC2-(5-chlorothiophen-2-yl)-1-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanone
SMILESCn1nccc1[C@@H]1CCCCN1C(=O)Cc1ccc(Cl)s1
InChIInChI=1S/C15H18ClN3OS/c1-18-12(7-8-17-18)13-4-2-3-9-19(13)15(20)10-11-5-6-14(16)21-11/h5-8,13H,2-4,9-10H2,1H3/t13-/m0/s1
InChIKeyGFHSEACOZRTTPL-ZDUSSCGKSA-N
MW323.85 g/mol
LogP3.43
Rot. Bonds3

About 2-(5-chlorothiophen-2-yl)-1-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanone

2-(5-chlorothiophen-2-yl)-1-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanone (PubChem CID 124873723) has the molecular formula C15H18ClN3OS and a molecular weight of 323.85 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-1-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-1-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanone
PubChem CID124873723
Molecular FormulaC15H18ClN3OS
Molecular Weight323.85 g/mol
Exact Mass323.09
IUPAC Name2-(5-chlorothiophen-2-yl)-1-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanone
SMILESCn1nccc1[C@@H]1CCCCN1C(=O)Cc1ccc(Cl)s1
InChIInChI=1S/C15H18ClN3OS/c1-18-12(7-8-17-18)13-4-2-3-9-19(13)15(20)10-11-5-6-14(16)21-11/h5-8,13H,2-4,9-10H2,1H3/t13-/m0/s1
InChIKeyGFHSEACOZRTTPL-ZDUSSCGKSA-N
XLogP3.43
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-1-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-1-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanone (CID 124873723) is 2-(5-chlorothiophen-2-yl)-1-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-1-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-1-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanone is Cn1nccc1[C@@H]1CCCCN1C(=O)Cc1ccc(Cl)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-1-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanone?
The InChIKey is GFHSEACOZRTTPL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18ClN3OS/c1-18-12(7-8-17-18)13-4-2-3-9-19(13)15(20)10-11-5-6-14(16)21-11/h5-8,13H,2-4,9-10H2,1H3/t13-/m0/s1.
What are the key properties of 2-(5-chlorothiophen-2-yl)-1-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanone?
2-(5-chlorothiophen-2-yl)-1-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanone has a molecular weight of 323.85 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-1-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 124873723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).