2,3,4-trimethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]benzamide

C22H28N2O5 — CID 90595853

IUPAC2,3,4-trimethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCC(OC)CC3)cc2)c(OC)c1OC
InChIInChI=1S/C22H28N2O5/c1-26-17-11-13-24(14-12-17)16-7-5-15(6-8-16)23-22(25)18-9-10-19(27-2)21(29-4)20(18)28-3/h5-10,17H,11-14H2,1-4H3,(H,23,25)
InChIKeySTOZZQKRVCFTSG-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.58
Rot. Bonds7

About 2,3,4-trimethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]benzamide

2,3,4-trimethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]benzamide (PubChem CID 90595853) has the molecular formula C22H28N2O5 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2,3,4-trimethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,3,4-trimethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]benzamide
PubChem CID90595853
Molecular FormulaC22H28N2O5
Molecular Weight400.48 g/mol
Exact Mass400.20
IUPAC Name2,3,4-trimethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCC(OC)CC3)cc2)c(OC)c1OC
InChIInChI=1S/C22H28N2O5/c1-26-17-11-13-24(14-12-17)16-7-5-15(6-8-16)23-22(25)18-9-10-19(27-2)21(29-4)20(18)28-3/h5-10,17H,11-14H2,1-4H3,(H,23,25)
InChIKeySTOZZQKRVCFTSG-UHFFFAOYSA-N
XLogP3.58
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
CID 121141454
2,6-dimethoxy-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 90595303
2,3-dimethoxy-N-(4-morpholin-4-ylphenyl)benzamide
CID 26269457
N-[4-(4-methoxypiperidin-1-yl)phenyl]butanamide
CID 90595801
N-[4-(4-methoxypiperidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 90595860
N-(4-chlorophenyl)-2,3,4-trimethoxybenzamide
CID 4794471
2-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 960710
1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 108992539
N-[4-[4-[(2,3-dimethoxyphenyl)methylamino]piperidin-1-yl]phenyl]-2,4-dimethylbenzamide
CID 26331342
N-[4-(4-methoxypiperidin-1-yl)phenyl]-4-phenoxybenzamide
CID 90595819
N-[4-(4-methoxypiperidin-1-yl)phenyl]-4-methylthiophene-2-carboxamide
CID 71809641
2-fluoro-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 71809546

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]benzamide?
The IUPAC name of 2,3,4-trimethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]benzamide (CID 90595853) is 2,3,4-trimethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 2,3,4-trimethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]benzamide?
The canonical SMILES for 2,3,4-trimethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(N3CCC(OC)CC3)cc2)c(OC)c1OC.
What is the InChIKey of 2,3,4-trimethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]benzamide?
The InChIKey is STOZZQKRVCFTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5/c1-26-17-11-13-24(14-12-17)16-7-5-15(6-8-16)23-22(25)18-9-10-19(27-2)21(29-4)20(18)28-3/h5-10,17H,11-14H2,1-4H3,(H,23,25).
What are the key properties of 2,3,4-trimethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]benzamide?
2,3,4-trimethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]benzamide has a molecular weight of 400.48 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 90595853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).