3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-phenylpropanamide

C21H26N2O2 — CID 42210371

IUPAC3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-phenylpropanamide
SMILESO=C(CCC1CCN(Cc2ccccc2O)CC1)Nc1ccccc1
InChIInChI=1S/C21H26N2O2/c24-20-9-5-4-6-18(20)16-23-14-12-17(13-15-23)10-11-21(25)22-19-7-2-1-3-8-19/h1-9,17,24H,10-16H2,(H,22,25)
InChIKeyIIUIGOUUIZNPBP-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.02
Rot. Bonds6

About 3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-phenylpropanamide

3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-phenylpropanamide (PubChem CID 42210371) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound Name3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-phenylpropanamide
PubChem CID42210371
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-phenylpropanamide
SMILESO=C(CCC1CCN(Cc2ccccc2O)CC1)Nc1ccccc1
InChIInChI=1S/C21H26N2O2/c24-20-9-5-4-6-18(20)16-23-14-12-17(13-15-23)10-11-21(25)22-19-7-2-1-3-8-19/h1-9,17,24H,10-16H2,(H,22,25)
InChIKeyIIUIGOUUIZNPBP-UHFFFAOYSA-N
XLogP4.02
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]propanoic acid
CID 65062691
3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide
CID 42213549
3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 42525374
3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-phenylpropanamide
CID 115647931
ethyl 4-[4-(3-anilino-3-oxopropyl)piperidin-1-yl]piperidine-1-carboxylate
CID 42148156
3-(1-benzoylpiperidin-4-yl)-N-(4-fluorophenyl)propanamide
CID 91913390
3-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]-N-phenylpropanamide
CID 42557084
N-(4-acetamidophenyl)-3-(4-benzylpiperidin-1-yl)propanamide
CID 109032583
3-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide
CID 56704613
3-(4-benzylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109032580
N-phenyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 18089156
3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide
CID 42519111

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of 3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-phenylpropanamide (CID 42210371) is 3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for 3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for 3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-phenylpropanamide is O=C(CCC1CCN(Cc2ccccc2O)CC1)Nc1ccccc1.
What is the InChIKey of 3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is IIUIGOUUIZNPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c24-20-9-5-4-6-18(20)16-23-14-12-17(13-15-23)10-11-21(25)22-19-7-2-1-3-8-19/h1-9,17,24H,10-16H2,(H,22,25).
What are the key properties of 3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-phenylpropanamide?
3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 338.45 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 42210371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).