N-[(3-hydroxy-4-methoxyphenyl)methyl]-5-methoxy-2-piperidin-1-ylbenzamide

C21H26N2O4 — CID 164617769

IUPACN-[(3-hydroxy-4-methoxyphenyl)methyl]-5-methoxy-2-piperidin-1-ylbenzamide
SMILESCOc1ccc(N2CCCCC2)c(C(=O)NCc2ccc(OC)c(O)c2)c1
InChIInChI=1S/C21H26N2O4/c1-26-16-7-8-18(23-10-4-3-5-11-23)17(13-16)21(25)22-14-15-6-9-20(27-2)19(24)12-15/h6-9,12-13,24H,3-5,10-11,14H2,1-2H3,(H,22,25)
InChIKeyWXMKXXPUXOTYSB-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.33
Rot. Bonds6

About N-[(3-hydroxy-4-methoxyphenyl)methyl]-5-methoxy-2-piperidin-1-ylbenzamide

N-[(3-hydroxy-4-methoxyphenyl)methyl]-5-methoxy-2-piperidin-1-ylbenzamide (PubChem CID 164617769) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[(3-hydroxy-4-methoxyphenyl)methyl]-5-methoxy-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[(3-hydroxy-4-methoxyphenyl)methyl]-5-methoxy-2-piperidin-1-ylbenzamide
PubChem CID164617769
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-[(3-hydroxy-4-methoxyphenyl)methyl]-5-methoxy-2-piperidin-1-ylbenzamide
SMILESCOc1ccc(N2CCCCC2)c(C(=O)NCc2ccc(OC)c(O)c2)c1
InChIInChI=1S/C21H26N2O4/c1-26-16-7-8-18(23-10-4-3-5-11-23)17(13-16)21(25)22-14-15-6-9-20(27-2)19(24)12-15/h6-9,12-13,24H,3-5,10-11,14H2,1-2H3,(H,22,25)
InChIKeyWXMKXXPUXOTYSB-UHFFFAOYSA-N
XLogP3.33
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-4-methoxyphenyl)methyl]-5-methoxy-2-piperidin-1-ylbenzamide?
The IUPAC name of N-[(3-hydroxy-4-methoxyphenyl)methyl]-5-methoxy-2-piperidin-1-ylbenzamide (CID 164617769) is N-[(3-hydroxy-4-methoxyphenyl)methyl]-5-methoxy-2-piperidin-1-ylbenzamide.
What is the SMILES notation for N-[(3-hydroxy-4-methoxyphenyl)methyl]-5-methoxy-2-piperidin-1-ylbenzamide?
The canonical SMILES for N-[(3-hydroxy-4-methoxyphenyl)methyl]-5-methoxy-2-piperidin-1-ylbenzamide is COc1ccc(N2CCCCC2)c(C(=O)NCc2ccc(OC)c(O)c2)c1.
What is the InChIKey of N-[(3-hydroxy-4-methoxyphenyl)methyl]-5-methoxy-2-piperidin-1-ylbenzamide?
The InChIKey is WXMKXXPUXOTYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-26-16-7-8-18(23-10-4-3-5-11-23)17(13-16)21(25)22-14-15-6-9-20(27-2)19(24)12-15/h6-9,12-13,24H,3-5,10-11,14H2,1-2H3,(H,22,25).
What are the key properties of N-[(3-hydroxy-4-methoxyphenyl)methyl]-5-methoxy-2-piperidin-1-ylbenzamide?
N-[(3-hydroxy-4-methoxyphenyl)methyl]-5-methoxy-2-piperidin-1-ylbenzamide has a molecular weight of 370.45 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-4-methoxyphenyl)methyl]-5-methoxy-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 164617769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).