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

C15H24N2O2S — CID 119662769

IUPAC1-[4-(3-aminopropoxy)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
SMILESNCCCOC1CCN(C(=O)CCc2cccs2)CC1
InChIInChI=1S/C15H24N2O2S/c16-8-2-11-19-13-6-9-17(10-7-13)15(18)5-4-14-3-1-12-20-14/h1,3,12-13H,2,4-11,16H2
InChIKeyAZHWHGGGWDRSBS-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.04
Rot. Bonds7

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

1-[4-(3-aminopropoxy)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one (PubChem CID 119662769) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-[4-(3-aminopropoxy)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-(3-aminopropoxy)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
PubChem CID119662769
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name1-[4-(3-aminopropoxy)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
SMILESNCCCOC1CCN(C(=O)CCc2cccs2)CC1
InChIInChI=1S/C15H24N2O2S/c16-8-2-11-19-13-6-9-17(10-7-13)15(18)5-4-14-3-1-12-20-14/h1,3,12-13H,2,4-11,16H2
InChIKeyAZHWHGGGWDRSBS-UHFFFAOYSA-N
XLogP2.04
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[4-(3-aminopropoxy)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(3-aminopropoxy)piperidin-1-yl]-4-thiophen-2-ylbutane-1,4-dione;hydrochloride
CID 119661499
1-(4-hydroxypiperidin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 43416005
1-(4-pyrrol-1-ylpiperidin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 110721301
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-thiophen-2-ylpropan-1-one
CID 119662698
N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide;hydrochloride
CID 119663314
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-phenoxypropan-1-one;hydrochloride
CID 119662804
1-[(3R)-3-aminopyrrolidin-1-yl]-3-thiophen-2-ylpropan-1-one;hydrochloride
CID 119410848
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone;dihydrochloride
CID 119661796
1-[4-(3-chlorophenoxy)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110356932
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-[2-(trifluoromethoxy)phenyl]propan-1-one;hydrochloride
CID 119663869
1-[3-(aminomethyl)pyrrolidin-1-yl]-6-thiophen-2-ylhexan-1-one
CID 119484105
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-(4-chlorophenyl)sulfanylpropan-1-one
CID 119662797

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-aminopropoxy)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one?
The IUPAC name of 1-[4-(3-aminopropoxy)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one (CID 119662769) is 1-[4-(3-aminopropoxy)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 1-[4-(3-aminopropoxy)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one?
The canonical SMILES for 1-[4-(3-aminopropoxy)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one is NCCCOC1CCN(C(=O)CCc2cccs2)CC1.
What is the InChIKey of 1-[4-(3-aminopropoxy)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one?
The InChIKey is AZHWHGGGWDRSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c16-8-2-11-19-13-6-9-17(10-7-13)15(18)5-4-14-3-1-12-20-14/h1,3,12-13H,2,4-11,16H2.
What are the key properties of 1-[4-(3-aminopropoxy)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one?
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one has a molecular weight of 296.44 g/mol, XLogP of 2.04, 7 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]-3-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 119662769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).