1-[4-(3-aminopropoxy)piperidin-1-yl]-2-thiophen-3-ylethanone

C14H22N2O2S — CID 79735660

IUPAC1-[4-(3-aminopropoxy)piperidin-1-yl]-2-thiophen-3-ylethanone
SMILESNCCCOC1CCN(C(=O)Cc2ccsc2)CC1
InChIInChI=1S/C14H22N2O2S/c15-5-1-8-18-13-2-6-16(7-3-13)14(17)10-12-4-9-19-11-12/h4,9,11,13H,1-3,5-8,10,15H2
InChIKeyDWFXJJYJAKDWFS-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.65
Rot. Bonds6

About 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-thiophen-3-ylethanone

1-[4-(3-aminopropoxy)piperidin-1-yl]-2-thiophen-3-ylethanone (PubChem CID 79735660) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[4-(3-aminopropoxy)piperidin-1-yl]-2-thiophen-3-ylethanone
PubChem CID79735660
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-[4-(3-aminopropoxy)piperidin-1-yl]-2-thiophen-3-ylethanone
SMILESNCCCOC1CCN(C(=O)Cc2ccsc2)CC1
InChIInChI=1S/C14H22N2O2S/c15-5-1-8-18-13-2-6-16(7-3-13)14(17)10-12-4-9-19-11-12/h4,9,11,13H,1-3,5-8,10,15H2
InChIKeyDWFXJJYJAKDWFS-UHFFFAOYSA-N
XLogP1.65
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-thiophen-3-ylethanone (CID 79735660) is 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-thiophen-3-ylethanone is NCCCOC1CCN(C(=O)Cc2ccsc2)CC1.
What is the InChIKey of 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-thiophen-3-ylethanone?
The InChIKey is DWFXJJYJAKDWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c15-5-1-8-18-13-2-6-16(7-3-13)14(17)10-12-4-9-19-11-12/h4,9,11,13H,1-3,5-8,10,15H2.
What are the key properties of 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-thiophen-3-ylethanone?
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-thiophen-3-ylethanone has a molecular weight of 282.41 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 79735660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).