N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-(4-methylsulfonylphenyl)-N-prop-2-enylacetamide

C32H38N2O3S — CID 11421221

IUPACN-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-(4-methylsulfonylphenyl)-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C32H38N2O3S/c1-3-21-34(32(35)25-26-14-16-30(17-15-26)38(2,36)37)29-18-22-33(23-19-29)24-20-31(27-10-6-4-7-11-27)28-12-8-5-9-13-28/h3-17,29,31H,1,18-25H2,2H3
InChIKeyFVSFZNKZAWLBHE-UHFFFAOYSA-N
MW530.73 g/mol
LogP5.33
Rot. Bonds11

About N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-(4-methylsulfonylphenyl)-N-prop-2-enylacetamide

N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-(4-methylsulfonylphenyl)-N-prop-2-enylacetamide (PubChem CID 11421221) has the molecular formula C32H38N2O3S and a molecular weight of 530.73 g/mol. Its IUPAC name is N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-(4-methylsulfonylphenyl)-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-(4-methylsulfonylphenyl)-N-prop-2-enylacetamide
PubChem CID11421221
Molecular FormulaC32H38N2O3S
Molecular Weight530.73 g/mol
Exact Mass530.26
IUPAC NameN-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-(4-methylsulfonylphenyl)-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C32H38N2O3S/c1-3-21-34(32(35)25-26-14-16-30(17-15-26)38(2,36)37)29-18-22-33(23-19-29)24-20-31(27-10-6-4-7-11-27)28-12-8-5-9-13-28/h3-17,29,31H,1,18-25H2,2H3
InChIKeyFVSFZNKZAWLBHE-UHFFFAOYSA-N
XLogP5.33
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.73
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-(4-methylsulfonylphenyl)-N-prop-2-enylacetamide?
The IUPAC name of N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-(4-methylsulfonylphenyl)-N-prop-2-enylacetamide (CID 11421221) is N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-(4-methylsulfonylphenyl)-N-prop-2-enylacetamide.
What is the SMILES notation for N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-(4-methylsulfonylphenyl)-N-prop-2-enylacetamide?
The canonical SMILES for N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-(4-methylsulfonylphenyl)-N-prop-2-enylacetamide is C=CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-(4-methylsulfonylphenyl)-N-prop-2-enylacetamide?
The InChIKey is FVSFZNKZAWLBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N2O3S/c1-3-21-34(32(35)25-26-14-16-30(17-15-26)38(2,36)37)29-18-22-33(23-19-29)24-20-31(27-10-6-4-7-11-27)28-12-8-5-9-13-28/h3-17,29,31H,1,18-25H2,2H3.
What are the key properties of N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-(4-methylsulfonylphenyl)-N-prop-2-enylacetamide?
N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-(4-methylsulfonylphenyl)-N-prop-2-enylacetamide has a molecular weight of 530.73 g/mol, XLogP of 5.33, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-(4-methylsulfonylphenyl)-N-prop-2-enylacetamide is sourced from PubChem (CID 11421221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).