(2,5-dimethylthiophen-3-yl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone

C15H19N3OS — CID 95282541

IUPAC(2,5-dimethylthiophen-3-yl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC[C@H](n3cccn3)C2)c(C)s1
InChIInChI=1S/C15H19N3OS/c1-11-9-14(12(2)20-11)15(19)17-7-3-5-13(10-17)18-8-4-6-16-18/h4,6,8-9,13H,3,5,7,10H2,1-2H3/t13-/m0/s1
InChIKeySKGBNNUMEGSLSO-ZDUSSCGKSA-N
MW289.40 g/mol
LogP3.04
Rot. Bonds2

About (2,5-dimethylthiophen-3-yl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone

(2,5-dimethylthiophen-3-yl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone (PubChem CID 95282541) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is (2,5-dimethylthiophen-3-yl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylthiophen-3-yl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
PubChem CID95282541
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name(2,5-dimethylthiophen-3-yl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC[C@H](n3cccn3)C2)c(C)s1
InChIInChI=1S/C15H19N3OS/c1-11-9-14(12(2)20-11)15(19)17-7-3-5-13(10-17)18-8-4-6-16-18/h4,6,8-9,13H,3,5,7,10H2,1-2H3/t13-/m0/s1
InChIKeySKGBNNUMEGSLSO-ZDUSSCGKSA-N
XLogP3.04
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylthiophen-3-yl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone?
The IUPAC name of (2,5-dimethylthiophen-3-yl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone (CID 95282541) is (2,5-dimethylthiophen-3-yl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethylthiophen-3-yl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone?
The canonical SMILES for (2,5-dimethylthiophen-3-yl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone is Cc1cc(C(=O)N2CCC[C@H](n3cccn3)C2)c(C)s1.
What is the InChIKey of (2,5-dimethylthiophen-3-yl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone?
The InChIKey is SKGBNNUMEGSLSO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-11-9-14(12(2)20-11)15(19)17-7-3-5-13(10-17)18-8-4-6-16-18/h4,6,8-9,13H,3,5,7,10H2,1-2H3/t13-/m0/s1.
What are the key properties of (2,5-dimethylthiophen-3-yl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone?
(2,5-dimethylthiophen-3-yl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone has a molecular weight of 289.40 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylthiophen-3-yl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 95282541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).