[4-(3-aminopropoxy)piperidin-1-yl]-(1-benzothiophen-5-yl)methanone

C17H22N2O2S — CID 119662741

IUPAC[4-(3-aminopropoxy)piperidin-1-yl]-(1-benzothiophen-5-yl)methanone
SMILESNCCCOC1CCN(C(=O)c2ccc3sccc3c2)CC1
InChIInChI=1S/C17H22N2O2S/c18-7-1-10-21-15-4-8-19(9-5-15)17(20)14-2-3-16-13(12-14)6-11-22-16/h2-3,6,11-12,15H,1,4-5,7-10,18H2
InChIKeyUXMAXEVXLBIJAD-UHFFFAOYSA-N
MW318.44 g/mol
LogP2.87
Rot. Bonds5

About [4-(3-aminopropoxy)piperidin-1-yl]-(1-benzothiophen-5-yl)methanone

[4-(3-aminopropoxy)piperidin-1-yl]-(1-benzothiophen-5-yl)methanone (PubChem CID 119662741) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is [4-(3-aminopropoxy)piperidin-1-yl]-(1-benzothiophen-5-yl)methanone.

Molecular Properties

Compound Name[4-(3-aminopropoxy)piperidin-1-yl]-(1-benzothiophen-5-yl)methanone
PubChem CID119662741
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name[4-(3-aminopropoxy)piperidin-1-yl]-(1-benzothiophen-5-yl)methanone
SMILESNCCCOC1CCN(C(=O)c2ccc3sccc3c2)CC1
InChIInChI=1S/C17H22N2O2S/c18-7-1-10-21-15-4-8-19(9-5-15)17(20)14-2-3-16-13(12-14)6-11-22-16/h2-3,6,11-12,15H,1,4-5,7-10,18H2
InChIKeyUXMAXEVXLBIJAD-UHFFFAOYSA-N
XLogP2.87
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-(3-aminopropoxy)piperidin-1-yl]-(1-benzothiophen-5-yl)methanone 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

[4-(3-aminopropoxy)piperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone;hydrochloride
CID 119662913
[4-(3-aminopropoxy)piperidin-1-yl]-(3-bromophenyl)methanone
CID 79735516
[4-(3-aminopropoxy)piperidin-1-yl]-(3-iodophenyl)methanone;hydrochloride
CID 119661929
[4-(3-aminopropoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 119661915
[4-(3-aminopropoxy)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone;hydrochloride
CID 119661567
[4-(3-aminopropoxy)piperidin-1-yl]-(2,4-dihydroxyphenyl)methanone
CID 79736339
[4-(3-aminopropoxy)piperidin-1-yl]-(4-methoxy-3-nitrophenyl)methanone
CID 119663992
1-[5-[4-(3-aminopropoxy)piperidine-1-carbonyl]-2-chlorophenyl]imidazolidin-2-one;hydrochloride
CID 119663507
[4-(3-aminopropoxy)piperidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone
CID 119663024
[4-(3-aminopropoxy)piperidin-1-yl]-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanone;dihydrochloride
CID 119664634
[4-(2-aminoethoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone
CID 82700954
[4-(3-aminopropoxy)piperidin-1-yl]-(3-chloro-5-methylphenyl)methanone
CID 81316588

Frequently Asked Questions

What is the IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-(1-benzothiophen-5-yl)methanone?
The IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-(1-benzothiophen-5-yl)methanone (CID 119662741) is [4-(3-aminopropoxy)piperidin-1-yl]-(1-benzothiophen-5-yl)methanone.
What is the SMILES notation for [4-(3-aminopropoxy)piperidin-1-yl]-(1-benzothiophen-5-yl)methanone?
The canonical SMILES for [4-(3-aminopropoxy)piperidin-1-yl]-(1-benzothiophen-5-yl)methanone is NCCCOC1CCN(C(=O)c2ccc3sccc3c2)CC1.
What is the InChIKey of [4-(3-aminopropoxy)piperidin-1-yl]-(1-benzothiophen-5-yl)methanone?
The InChIKey is UXMAXEVXLBIJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c18-7-1-10-21-15-4-8-19(9-5-15)17(20)14-2-3-16-13(12-14)6-11-22-16/h2-3,6,11-12,15H,1,4-5,7-10,18H2.
What are the key properties of [4-(3-aminopropoxy)piperidin-1-yl]-(1-benzothiophen-5-yl)methanone?
[4-(3-aminopropoxy)piperidin-1-yl]-(1-benzothiophen-5-yl)methanone has a molecular weight of 318.44 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-aminopropoxy)piperidin-1-yl]-(1-benzothiophen-5-yl)methanone is sourced from PubChem (CID 119662741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).