2,3,4-trimethoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide

C22H34N2O4 — CID 2449625

IUPAC2,3,4-trimethoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCC2(N3CCCCC3)CCCCC2)c(OC)c1OC
InChIInChI=1S/C22H34N2O4/c1-26-18-11-10-17(19(27-2)20(18)28-3)21(25)23-16-22(12-6-4-7-13-22)24-14-8-5-9-15-24/h10-11H,4-9,12-16H2,1-3H3,(H,23,25)
InChIKeyKIJMOPYYLYSVEF-UHFFFAOYSA-N
MW390.52 g/mol
LogP3.63
Rot. Bonds7

About 2,3,4-trimethoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide

2,3,4-trimethoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide (PubChem CID 2449625) has the molecular formula C22H34N2O4 and a molecular weight of 390.52 g/mol. Its IUPAC name is 2,3,4-trimethoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name2,3,4-trimethoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
PubChem CID2449625
Molecular FormulaC22H34N2O4
Molecular Weight390.52 g/mol
Exact Mass390.25
IUPAC Name2,3,4-trimethoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCC2(N3CCCCC3)CCCCC2)c(OC)c1OC
InChIInChI=1S/C22H34N2O4/c1-26-18-11-10-17(19(27-2)20(18)28-3)21(25)23-16-22(12-6-4-7-13-22)24-14-8-5-9-15-24/h10-11H,4-9,12-16H2,1-3H3,(H,23,25)
InChIKeyKIJMOPYYLYSVEF-UHFFFAOYSA-N
XLogP3.63
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-6-methoxy-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]benzamide
CID 91770086
1-[[(2,3,4-trimethoxybenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544364
2-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]-5-sulfamoylbenzamide
CID 2561314
3-fluoro-4-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
CID 17446987
2-methoxy-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methyl]benzamide
CID 56672420
2,3,4-trimethoxy-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 55980283
azocan-1-yl-(2,3,4-trimethoxyphenyl)methanone
CID 78771101
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dimethoxybenzamide
CID 115362436
2-chloro-3-methoxy-N-[[1-(4-propylsulfonylpiperazin-1-yl)cycloheptyl]methyl]benzamide
CID 54764431
(3S)-8-methoxy-N-[(1-pyrrolidin-1-ylcyclopentyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97194876
4-amino-5-chloro-2-methoxy-N-[(1-thiomorpholin-4-ylcycloheptyl)methyl]benzamide
CID 165115746
2,6-dimethyl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]quinoline-4-carboxamide
CID 70755176

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide?
The IUPAC name of 2,3,4-trimethoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide (CID 2449625) is 2,3,4-trimethoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide.
What is the SMILES notation for 2,3,4-trimethoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide?
The canonical SMILES for 2,3,4-trimethoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide is COc1ccc(C(=O)NCC2(N3CCCCC3)CCCCC2)c(OC)c1OC.
What is the InChIKey of 2,3,4-trimethoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide?
The InChIKey is KIJMOPYYLYSVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O4/c1-26-18-11-10-17(19(27-2)20(18)28-3)21(25)23-16-22(12-6-4-7-13-22)24-14-8-5-9-15-24/h10-11H,4-9,12-16H2,1-3H3,(H,23,25).
What are the key properties of 2,3,4-trimethoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide?
2,3,4-trimethoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide has a molecular weight of 390.52 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide is sourced from PubChem (CID 2449625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).