[4-(3-aminopropoxy)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone;hydrochloride

C16H23ClN4O2S — CID 119661567

IUPAC[4-(3-aminopropoxy)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone;hydrochloride
SMILESCl.NCCCOC1CCN(C(=O)c2cc(-c3cccs3)[nH]n2)CC1
InChIInChI=1S/C16H22N4O2S.ClH/c17-6-2-9-22-12-4-7-20(8-5-12)16(21)14-11-13(18-19-14)15-3-1-10-23-15;/h1,3,10-12H,2,4-9,17H2,(H,18,19);1H
InChIKeyOAFFWLCMIMAOHY-UHFFFAOYSA-N
MW370.91 g/mol
LogP2.53
Rot. Bonds6

About [4-(3-aminopropoxy)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone;hydrochloride

[4-(3-aminopropoxy)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone;hydrochloride (PubChem CID 119661567) has the molecular formula C16H23ClN4O2S and a molecular weight of 370.91 g/mol. Its IUPAC name is [4-(3-aminopropoxy)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(3-aminopropoxy)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone;hydrochloride
PubChem CID119661567
Molecular FormulaC16H23ClN4O2S
Molecular Weight370.91 g/mol
Exact Mass370.12
IUPAC Name[4-(3-aminopropoxy)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone;hydrochloride
SMILESCl.NCCCOC1CCN(C(=O)c2cc(-c3cccs3)[nH]n2)CC1
InChIInChI=1S/C16H22N4O2S.ClH/c17-6-2-9-22-12-4-7-20(8-5-12)16(21)14-11-13(18-19-14)15-3-1-10-23-15;/h1,3,10-12H,2,4-9,17H2,(H,18,19);1H
InChIKeyOAFFWLCMIMAOHY-UHFFFAOYSA-N
XLogP2.53
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.91
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [4-(3-aminopropoxy)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone;hydrochloride?
The IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone;hydrochloride (CID 119661567) is [4-(3-aminopropoxy)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(3-aminopropoxy)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone;hydrochloride?
The canonical SMILES for [4-(3-aminopropoxy)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone;hydrochloride is Cl.NCCCOC1CCN(C(=O)c2cc(-c3cccs3)[nH]n2)CC1.
What is the InChIKey of [4-(3-aminopropoxy)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone;hydrochloride?
The InChIKey is OAFFWLCMIMAOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S.ClH/c17-6-2-9-22-12-4-7-20(8-5-12)16(21)14-11-13(18-19-14)15-3-1-10-23-15;/h1,3,10-12H,2,4-9,17H2,(H,18,19);1H.
What are the key properties of [4-(3-aminopropoxy)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone;hydrochloride?
[4-(3-aminopropoxy)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone;hydrochloride has a molecular weight of 370.91 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-aminopropoxy)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone;hydrochloride is sourced from PubChem (CID 119661567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).