piperidin-1-yl-(4-thiophen-2-ylthiophen-2-yl)methanone

C14H15NOS2 — CID 71690080

IUPACpiperidin-1-yl-(4-thiophen-2-ylthiophen-2-yl)methanone
SMILESO=C(c1cc(-c2cccs2)cs1)N1CCCCC1
InChIInChI=1S/C14H15NOS2/c16-14(15-6-2-1-3-7-15)13-9-11(10-18-13)12-5-4-8-17-12/h4-5,8-10H,1-3,6-7H2
InChIKeyVGTRBVVDGSZYTH-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.10
Rot. Bonds2

About piperidin-1-yl-(4-thiophen-2-ylthiophen-2-yl)methanone

piperidin-1-yl-(4-thiophen-2-ylthiophen-2-yl)methanone (PubChem CID 71690080) has the molecular formula C14H15NOS2 and a molecular weight of 277.41 g/mol. Its IUPAC name is piperidin-1-yl-(4-thiophen-2-ylthiophen-2-yl)methanone.

Molecular Properties

Compound Namepiperidin-1-yl-(4-thiophen-2-ylthiophen-2-yl)methanone
PubChem CID71690080
Molecular FormulaC14H15NOS2
Molecular Weight277.41 g/mol
Exact Mass277.06
IUPAC Namepiperidin-1-yl-(4-thiophen-2-ylthiophen-2-yl)methanone
SMILESO=C(c1cc(-c2cccs2)cs1)N1CCCCC1
InChIInChI=1S/C14H15NOS2/c16-14(15-6-2-1-3-7-15)13-9-11(10-18-13)12-5-4-8-17-12/h4-5,8-10H,1-3,6-7H2
InChIKeyVGTRBVVDGSZYTH-UHFFFAOYSA-N
XLogP4.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-(4-thiophen-2-ylthiophen-2-yl)methanone?
The IUPAC name of piperidin-1-yl-(4-thiophen-2-ylthiophen-2-yl)methanone (CID 71690080) is piperidin-1-yl-(4-thiophen-2-ylthiophen-2-yl)methanone.
What is the SMILES notation for piperidin-1-yl-(4-thiophen-2-ylthiophen-2-yl)methanone?
The canonical SMILES for piperidin-1-yl-(4-thiophen-2-ylthiophen-2-yl)methanone is O=C(c1cc(-c2cccs2)cs1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-(4-thiophen-2-ylthiophen-2-yl)methanone?
The InChIKey is VGTRBVVDGSZYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS2/c16-14(15-6-2-1-3-7-15)13-9-11(10-18-13)12-5-4-8-17-12/h4-5,8-10H,1-3,6-7H2.
What are the key properties of piperidin-1-yl-(4-thiophen-2-ylthiophen-2-yl)methanone?
piperidin-1-yl-(4-thiophen-2-ylthiophen-2-yl)methanone has a molecular weight of 277.41 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-(4-thiophen-2-ylthiophen-2-yl)methanone is sourced from PubChem (CID 71690080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).