1-(3-piperidin-1-ylsulfonyl-4-pyridinyl)-4-prop-2-enylpiperazine

C17H26N4O2S — CID 1214514

IUPAC1-(3-piperidin-1-ylsulfonyl-4-pyridinyl)-4-prop-2-enylpiperazine
SMILESC=CCN1CCN(c2ccncc2S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C17H26N4O2S/c1-2-8-19-11-13-20(14-12-19)16-6-7-18-15-17(16)24(22,23)21-9-4-3-5-10-21/h2,6-7,15H,1,3-5,8-14H2
InChIKeyCLOAJTSRYRJHKK-UHFFFAOYSA-N
MW350.49 g/mol
LogP1.56
Rot. Bonds5

About 1-(3-piperidin-1-ylsulfonyl-4-pyridinyl)-4-prop-2-enylpiperazine

1-(3-piperidin-1-ylsulfonyl-4-pyridinyl)-4-prop-2-enylpiperazine (PubChem CID 1214514) has the molecular formula C17H26N4O2S and a molecular weight of 350.49 g/mol. Its IUPAC name is 1-(3-piperidin-1-ylsulfonyl-4-pyridinyl)-4-prop-2-enylpiperazine.

Molecular Properties

Compound Name1-(3-piperidin-1-ylsulfonyl-4-pyridinyl)-4-prop-2-enylpiperazine
PubChem CID1214514
Molecular FormulaC17H26N4O2S
Molecular Weight350.49 g/mol
Exact Mass350.18
IUPAC Name1-(3-piperidin-1-ylsulfonyl-4-pyridinyl)-4-prop-2-enylpiperazine
SMILESC=CCN1CCN(c2ccncc2S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C17H26N4O2S/c1-2-8-19-11-13-20(14-12-19)16-6-7-18-15-17(16)24(22,23)21-9-4-3-5-10-21/h2,6-7,15H,1,3-5,8-14H2
InChIKeyCLOAJTSRYRJHKK-UHFFFAOYSA-N
XLogP1.56
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(3-piperidin-1-ylsulfonyl-4-pyridinyl)-4-prop-2-enylpiperazine 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 1-(3-piperidin-1-ylsulfonyl-4-pyridinyl)-4-prop-2-enylpiperazine?
The IUPAC name of 1-(3-piperidin-1-ylsulfonyl-4-pyridinyl)-4-prop-2-enylpiperazine (CID 1214514) is 1-(3-piperidin-1-ylsulfonyl-4-pyridinyl)-4-prop-2-enylpiperazine.
What is the SMILES notation for 1-(3-piperidin-1-ylsulfonyl-4-pyridinyl)-4-prop-2-enylpiperazine?
The canonical SMILES for 1-(3-piperidin-1-ylsulfonyl-4-pyridinyl)-4-prop-2-enylpiperazine is C=CCN1CCN(c2ccncc2S(=O)(=O)N2CCCCC2)CC1.
What is the InChIKey of 1-(3-piperidin-1-ylsulfonyl-4-pyridinyl)-4-prop-2-enylpiperazine?
The InChIKey is CLOAJTSRYRJHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2S/c1-2-8-19-11-13-20(14-12-19)16-6-7-18-15-17(16)24(22,23)21-9-4-3-5-10-21/h2,6-7,15H,1,3-5,8-14H2.
What are the key properties of 1-(3-piperidin-1-ylsulfonyl-4-pyridinyl)-4-prop-2-enylpiperazine?
1-(3-piperidin-1-ylsulfonyl-4-pyridinyl)-4-prop-2-enylpiperazine has a molecular weight of 350.49 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-piperidin-1-ylsulfonyl-4-pyridinyl)-4-prop-2-enylpiperazine is sourced from PubChem (CID 1214514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).