2-(4-hydroxy-4-phenylpiperidin-1-yl)-N-prop-2-enylacetamide

C16H22N2O2 — CID 650451

IUPAC2-(4-hydroxy-4-phenylpiperidin-1-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C16H22N2O2/c1-2-10-17-15(19)13-18-11-8-16(20,9-12-18)14-6-4-3-5-7-14/h2-7,20H,1,8-13H2,(H,17,19)
InChIKeyNVDHKCCCDZQMRL-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.27
Rot. Bonds5

About 2-(4-hydroxy-4-phenylpiperidin-1-yl)-N-prop-2-enylacetamide

2-(4-hydroxy-4-phenylpiperidin-1-yl)-N-prop-2-enylacetamide (PubChem CID 650451) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-(4-hydroxy-4-phenylpiperidin-1-yl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(4-hydroxy-4-phenylpiperidin-1-yl)-N-prop-2-enylacetamide
PubChem CID650451
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-(4-hydroxy-4-phenylpiperidin-1-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C16H22N2O2/c1-2-10-17-15(19)13-18-11-8-16(20,9-12-18)14-6-4-3-5-7-14/h2-7,20H,1,8-13H2,(H,17,19)
InChIKeyNVDHKCCCDZQMRL-UHFFFAOYSA-N
XLogP1.27
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-hydroxy-4-phenylpiperidin-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

Related Compounds

4-Phenylpiperidin-4-ol
CID 96387
1-Cyclobutyl-1-hydroxy-1-phenyl-3-piperazin-1-ylpropan-2-one
CID 10334313
[2-[4-[Hydroxy(diphenyl)methyl]piperidin-1-yl]-2-oxoethyl]urea
CID 2541146
1,1-Diphenyl-4-piperazin-1-ylbutan-1-ol;dihydrochloride
CID 49797395
5-[(4S,4aR,8aS)-4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinoline-1-carbonyl]pyrrolidin-2-one
CID 54586109
[(4S,4aR,8aS)-4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]-piperazin-2-ylmethanone
CID 54587110
2-[4-(4-Fluoro-phenyl)-4-hydroxy-piperidin-1-yl]-N-(2-methyl-cyclohexyl)-acetamide
CID 650020
N-tert-Butyl-2-(4-hydroxy-4-phenyl-piperidin-1-yl)-acetamide
CID 649927
N-Allyl-2-[4-(4-fluoro-phenyl)-4-hydroxy-piperidin-1-yl]-acetamide
CID 653579
2-[4-Hydroxy-4-(3-trifluoromethyl-phenyl)-piperidin-1-yl]-N-phenethyl-acetamide
CID 3228837
(2E,4E,6E,8E)-1-(4-hydroxy-4-phenylpiperidin-1-yl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-one
CID 56683333
Piperazine, 1-((4-hydroxy-4-phenyl-1-piperidinyl)acetyl)-4-(3-phenyl-2-propenyl)-, monohydrochloride, (E)-
CID 6448143

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-4-phenylpiperidin-1-yl)-N-prop-2-enylacetamide?
The IUPAC name of 2-(4-hydroxy-4-phenylpiperidin-1-yl)-N-prop-2-enylacetamide (CID 650451) is 2-(4-hydroxy-4-phenylpiperidin-1-yl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(4-hydroxy-4-phenylpiperidin-1-yl)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(4-hydroxy-4-phenylpiperidin-1-yl)-N-prop-2-enylacetamide is C=CCNC(=O)CN1CCC(O)(c2ccccc2)CC1.
What is the InChIKey of 2-(4-hydroxy-4-phenylpiperidin-1-yl)-N-prop-2-enylacetamide?
The InChIKey is NVDHKCCCDZQMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-2-10-17-15(19)13-18-11-8-16(20,9-12-18)14-6-4-3-5-7-14/h2-7,20H,1,8-13H2,(H,17,19).
What are the key properties of 2-(4-hydroxy-4-phenylpiperidin-1-yl)-N-prop-2-enylacetamide?
2-(4-hydroxy-4-phenylpiperidin-1-yl)-N-prop-2-enylacetamide has a molecular weight of 274.36 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-4-phenylpiperidin-1-yl)-N-prop-2-enylacetamide is sourced from PubChem (CID 650451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).