1-benzoyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylpiperidine-4-carboxamide

C23H28N2O4 — CID 110308753

IUPAC1-benzoyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylpiperidine-4-carboxamide
SMILESCOc1cccc(C(O)CN(C)C(=O)C2CCN(C(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C23H28N2O4/c1-24(16-21(26)19-9-6-10-20(15-19)29-2)22(27)18-11-13-25(14-12-18)23(28)17-7-4-3-5-8-17/h3-10,15,18,21,26H,11-14,16H2,1-2H3
InChIKeyIIKHFGVKOQGSOK-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.74
Rot. Bonds6

About 1-benzoyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylpiperidine-4-carboxamide

1-benzoyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylpiperidine-4-carboxamide (PubChem CID 110308753) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 1-benzoyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylpiperidine-4-carboxamide
PubChem CID110308753
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name1-benzoyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylpiperidine-4-carboxamide
SMILESCOc1cccc(C(O)CN(C)C(=O)C2CCN(C(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C23H28N2O4/c1-24(16-21(26)19-9-6-10-20(15-19)29-2)22(27)18-11-13-25(14-12-18)23(28)17-7-4-3-5-8-17/h3-10,15,18,21,26H,11-14,16H2,1-2H3
InChIKeyIIKHFGVKOQGSOK-UHFFFAOYSA-N
XLogP2.74
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-benzoyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylpiperidine-4-carboxamide (CID 110308753) is 1-benzoyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-benzoyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-benzoyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylpiperidine-4-carboxamide is COc1cccc(C(O)CN(C)C(=O)C2CCN(C(=O)c3ccccc3)CC2)c1.
What is the InChIKey of 1-benzoyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is IIKHFGVKOQGSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-24(16-21(26)19-9-6-10-20(15-19)29-2)22(27)18-11-13-25(14-12-18)23(28)17-7-4-3-5-8-17/h3-10,15,18,21,26H,11-14,16H2,1-2H3.
What are the key properties of 1-benzoyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylpiperidine-4-carboxamide?
1-benzoyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 110308753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).