1-[(2-hydroxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide

C21H26N2O2 — CID 7299641

IUPAC1-[(2-hydroxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
SMILESC[C@@H](NC(=O)C1CCN(Cc2ccccc2O)CC1)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-16(17-7-3-2-4-8-17)22-21(25)18-11-13-23(14-12-18)15-19-9-5-6-10-20(19)24/h2-10,16,18,24H,11-15H2,1H3,(H,22,25)/t16-/m1/s1
InChIKeyYGBNFDSTUQSHQM-MRXNPFEDSA-N
MW338.45 g/mol
LogP3.48
Rot. Bonds5

About 1-[(2-hydroxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide

1-[(2-hydroxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide (PubChem CID 7299641) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-[(2-hydroxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-hydroxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
PubChem CID7299641
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name1-[(2-hydroxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
SMILESC[C@@H](NC(=O)C1CCN(Cc2ccccc2O)CC1)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-16(17-7-3-2-4-8-17)22-21(25)18-11-13-23(14-12-18)15-19-9-5-6-10-20(19)24/h2-10,16,18,24H,11-15H2,1H3,(H,22,25)/t16-/m1/s1
InChIKeyYGBNFDSTUQSHQM-MRXNPFEDSA-N
XLogP3.48
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.48
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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Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2-hydroxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide (CID 7299641) is 1-[(2-hydroxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-hydroxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-hydroxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide is C[C@@H](NC(=O)C1CCN(Cc2ccccc2O)CC1)c1ccccc1.
What is the InChIKey of 1-[(2-hydroxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide?
The InChIKey is YGBNFDSTUQSHQM-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16(17-7-3-2-4-8-17)22-21(25)18-11-13-23(14-12-18)15-19-9-5-6-10-20(19)24/h2-10,16,18,24H,11-15H2,1H3,(H,22,25)/t16-/m1/s1.
What are the key properties of 1-[(2-hydroxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide?
1-[(2-hydroxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide is sourced from PubChem (CID 7299641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).