2-methyl-1-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]propan-1-one

C14H22N2OS — CID 43434861

IUPAC2-methyl-1-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC(NCc2ccsc2)CC1
InChIInChI=1S/C14H22N2OS/c1-11(2)14(17)16-6-3-13(4-7-16)15-9-12-5-8-18-10-12/h5,8,10-11,13,15H,3-4,6-7,9H2,1-2H3
InChIKeyOCEQRHSCVIEALN-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.48
Rot. Bonds4

About 2-methyl-1-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]propan-1-one

2-methyl-1-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]propan-1-one (PubChem CID 43434861) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-methyl-1-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]propan-1-one
PubChem CID43434861
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-methyl-1-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC(NCc2ccsc2)CC1
InChIInChI=1S/C14H22N2OS/c1-11(2)14(17)16-6-3-13(4-7-16)15-9-12-5-8-18-10-12/h5,8,10-11,13,15H,3-4,6-7,9H2,1-2H3
InChIKeyOCEQRHSCVIEALN-UHFFFAOYSA-N
XLogP2.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]propan-1-one (CID 43434861) is 2-methyl-1-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]propan-1-one is CC(C)C(=O)N1CCC(NCc2ccsc2)CC1.
What is the InChIKey of 2-methyl-1-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]propan-1-one?
The InChIKey is OCEQRHSCVIEALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-11(2)14(17)16-6-3-13(4-7-16)15-9-12-5-8-18-10-12/h5,8,10-11,13,15H,3-4,6-7,9H2,1-2H3.
What are the key properties of 2-methyl-1-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]propan-1-one?
2-methyl-1-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]propan-1-one has a molecular weight of 266.41 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 43434861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).