(3-methylthiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

C15H17N3OS — CID 3283010

IUPAC(3-methylthiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1ccsc1C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H17N3OS/c1-12-5-11-20-14(12)15(19)18-9-7-17(8-10-18)13-4-2-3-6-16-13/h2-6,11H,7-10H2,1H3
InChIKeyJTFUBGFRNDAEOL-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.41
Rot. Bonds2

About (3-methylthiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

(3-methylthiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 3283010) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is (3-methylthiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-methylthiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID3283010
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name(3-methylthiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1ccsc1C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H17N3OS/c1-12-5-11-20-14(12)15(19)18-9-7-17(8-10-18)13-4-2-3-6-16-13/h2-6,11H,7-10H2,1H3
InChIKeyJTFUBGFRNDAEOL-UHFFFAOYSA-N
XLogP2.41
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methylthiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (3-methylthiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 3283010) is (3-methylthiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-methylthiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (3-methylthiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is Cc1ccsc1C(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (3-methylthiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is JTFUBGFRNDAEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-12-5-11-20-14(12)15(19)18-9-7-17(8-10-18)13-4-2-3-6-16-13/h2-6,11H,7-10H2,1H3.
What are the key properties of (3-methylthiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(3-methylthiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 287.39 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylthiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 3283010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).