1-(3-methylpiperidin-3-yl)-3-thiophen-2-ylpropan-1-one

C13H19NOS — CID 116569436

IUPAC1-(3-methylpiperidin-3-yl)-3-thiophen-2-ylpropan-1-one
SMILESCC1(C(=O)CCc2cccs2)CCCNC1
InChIInChI=1S/C13H19NOS/c1-13(7-3-8-14-10-13)12(15)6-5-11-4-2-9-16-11/h2,4,9,14H,3,5-8,10H2,1H3
InChIKeyRQZGDLBDVKVQDH-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.64
Rot. Bonds4

About 1-(3-methylpiperidin-3-yl)-3-thiophen-2-ylpropan-1-one

1-(3-methylpiperidin-3-yl)-3-thiophen-2-ylpropan-1-one (PubChem CID 116569436) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 1-(3-methylpiperidin-3-yl)-3-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name1-(3-methylpiperidin-3-yl)-3-thiophen-2-ylpropan-1-one
PubChem CID116569436
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name1-(3-methylpiperidin-3-yl)-3-thiophen-2-ylpropan-1-one
SMILESCC1(C(=O)CCc2cccs2)CCCNC1
InChIInChI=1S/C13H19NOS/c1-13(7-3-8-14-10-13)12(15)6-5-11-4-2-9-16-11/h2,4,9,14H,3,5-8,10H2,1H3
InChIKeyRQZGDLBDVKVQDH-UHFFFAOYSA-N
XLogP2.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpiperidin-3-yl)-3-thiophen-2-ylpropan-1-one?
The IUPAC name of 1-(3-methylpiperidin-3-yl)-3-thiophen-2-ylpropan-1-one (CID 116569436) is 1-(3-methylpiperidin-3-yl)-3-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 1-(3-methylpiperidin-3-yl)-3-thiophen-2-ylpropan-1-one?
The canonical SMILES for 1-(3-methylpiperidin-3-yl)-3-thiophen-2-ylpropan-1-one is CC1(C(=O)CCc2cccs2)CCCNC1.
What is the InChIKey of 1-(3-methylpiperidin-3-yl)-3-thiophen-2-ylpropan-1-one?
The InChIKey is RQZGDLBDVKVQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-13(7-3-8-14-10-13)12(15)6-5-11-4-2-9-16-11/h2,4,9,14H,3,5-8,10H2,1H3.
What are the key properties of 1-(3-methylpiperidin-3-yl)-3-thiophen-2-ylpropan-1-one?
1-(3-methylpiperidin-3-yl)-3-thiophen-2-ylpropan-1-one has a molecular weight of 237.37 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpiperidin-3-yl)-3-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 116569436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).