2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-N-prop-2-enylacetamide

C23H28N2O2 — CID 4803530

IUPAC2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H28N2O2/c1-2-15-24-22(26)18-25-16-13-21(14-17-25)23(27,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h2-12,21,27H,1,13-18H2,(H,24,26)
InChIKeyCBDKSCSWNZLBEK-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.94
Rot. Bonds7

About 2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-N-prop-2-enylacetamide

2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-N-prop-2-enylacetamide (PubChem CID 4803530) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-N-prop-2-enylacetamide
PubChem CID4803530
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H28N2O2/c1-2-15-24-22(26)18-25-16-13-21(14-17-25)23(27,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h2-12,21,27H,1,13-18H2,(H,24,26)
InChIKeyCBDKSCSWNZLBEK-UHFFFAOYSA-N
XLogP2.94
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-N-prop-2-enylacetamide 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 2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-N-prop-2-enylacetamide (CID 4803530) is 2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-N-prop-2-enylacetamide is C=CCNC(=O)CN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-N-prop-2-enylacetamide?
The InChIKey is CBDKSCSWNZLBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-2-15-24-22(26)18-25-16-13-21(14-17-25)23(27,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h2-12,21,27H,1,13-18H2,(H,24,26).
What are the key properties of 2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-N-prop-2-enylacetamide?
2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-N-prop-2-enylacetamide has a molecular weight of 364.49 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 4803530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).