N-[1-(cyclohexylmethyl)piperidin-4-yl]-2,3-dimethoxybenzamide

C21H32N2O3 — CID 24848457

IUPACN-[1-(cyclohexylmethyl)piperidin-4-yl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NC2CCN(CC3CCCCC3)CC2)c1OC
InChIInChI=1S/C21H32N2O3/c1-25-19-10-6-9-18(20(19)26-2)21(24)22-17-11-13-23(14-12-17)15-16-7-4-3-5-8-16/h6,9-10,16-17H,3-5,7-8,11-15H2,1-2H3,(H,22,24)
InChIKeyLXMJQHBLFQRRFS-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.48
Rot. Bonds6

About N-[1-(cyclohexylmethyl)piperidin-4-yl]-2,3-dimethoxybenzamide

N-[1-(cyclohexylmethyl)piperidin-4-yl]-2,3-dimethoxybenzamide (PubChem CID 24848457) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-[1-(cyclohexylmethyl)piperidin-4-yl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[1-(cyclohexylmethyl)piperidin-4-yl]-2,3-dimethoxybenzamide
PubChem CID24848457
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC NameN-[1-(cyclohexylmethyl)piperidin-4-yl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NC2CCN(CC3CCCCC3)CC2)c1OC
InChIInChI=1S/C21H32N2O3/c1-25-19-10-6-9-18(20(19)26-2)21(24)22-17-11-13-23(14-12-17)15-16-7-4-3-5-8-16/h6,9-10,16-17H,3-5,7-8,11-15H2,1-2H3,(H,22,24)
InChIKeyLXMJQHBLFQRRFS-UHFFFAOYSA-N
XLogP3.48
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-ethoxy-3-methoxybenzamide
CID 2988102
2,3-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236643
2,3-dimethoxy-N-[4-(methylamino)cyclohexyl]benzamide
CID 43653208
2,3-dimethoxy-N-(1-propylsulfonylpiperidin-4-yl)benzamide
CID 46464711
N-cyclohexyl-2-[(2,3-dimethoxyphenoxy)methyl]benzamide
CID 91016522
N-[(1R,2R)-2-aminocyclohexyl]-2,3-dimethoxybenzamide
CID 93452159
N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-methoxybenzamide
CID 108549239
2,3-dimethoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 71810013
2,3-dimethoxy-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 13053662
N-[(1-cyclohexylpiperidin-3-yl)methyl]-2,3-dimethoxybenzamide
CID 23723921
2-(difluoromethoxy)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 86907097
[2-(cyclohexylamino)-2-oxoethyl] 2,3-dimethoxybenzoate
CID 2503827

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexylmethyl)piperidin-4-yl]-2,3-dimethoxybenzamide?
The IUPAC name of N-[1-(cyclohexylmethyl)piperidin-4-yl]-2,3-dimethoxybenzamide (CID 24848457) is N-[1-(cyclohexylmethyl)piperidin-4-yl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[1-(cyclohexylmethyl)piperidin-4-yl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-[1-(cyclohexylmethyl)piperidin-4-yl]-2,3-dimethoxybenzamide is COc1cccc(C(=O)NC2CCN(CC3CCCCC3)CC2)c1OC.
What is the InChIKey of N-[1-(cyclohexylmethyl)piperidin-4-yl]-2,3-dimethoxybenzamide?
The InChIKey is LXMJQHBLFQRRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-25-19-10-6-9-18(20(19)26-2)21(24)22-17-11-13-23(14-12-17)15-16-7-4-3-5-8-16/h6,9-10,16-17H,3-5,7-8,11-15H2,1-2H3,(H,22,24).
What are the key properties of N-[1-(cyclohexylmethyl)piperidin-4-yl]-2,3-dimethoxybenzamide?
N-[1-(cyclohexylmethyl)piperidin-4-yl]-2,3-dimethoxybenzamide has a molecular weight of 360.50 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexylmethyl)piperidin-4-yl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 24848457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).