N-[(1-cyclohexylpiperidin-3-yl)methyl]-2,3-dimethoxybenzamide

C21H32N2O3 — CID 23723921

IUPACN-[(1-cyclohexylpiperidin-3-yl)methyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NCC2CCCN(C3CCCCC3)C2)c1OC
InChIInChI=1S/C21H32N2O3/c1-25-19-12-6-11-18(20(19)26-2)21(24)22-14-16-8-7-13-23(15-16)17-9-4-3-5-10-17/h6,11-12,16-17H,3-5,7-10,13-15H2,1-2H3,(H,22,24)
InChIKeyMNAVCEKGMZSNSS-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.48
Rot. Bonds6

About N-[(1-cyclohexylpiperidin-3-yl)methyl]-2,3-dimethoxybenzamide

N-[(1-cyclohexylpiperidin-3-yl)methyl]-2,3-dimethoxybenzamide (PubChem CID 23723921) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-[(1-cyclohexylpiperidin-3-yl)methyl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(1-cyclohexylpiperidin-3-yl)methyl]-2,3-dimethoxybenzamide
PubChem CID23723921
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC NameN-[(1-cyclohexylpiperidin-3-yl)methyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NCC2CCCN(C3CCCCC3)C2)c1OC
InChIInChI=1S/C21H32N2O3/c1-25-19-12-6-11-18(20(19)26-2)21(24)22-14-16-8-7-13-23(15-16)17-9-4-3-5-10-17/h6,11-12,16-17H,3-5,7-10,13-15H2,1-2H3,(H,22,24)
InChIKeyMNAVCEKGMZSNSS-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-[[(3R)-1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-2,3-dimethoxybenzamide
CID 25297300
N-[[1-(cyclohexylmethyl)piperidin-1-ium-4-yl]methyl]-2,3-dimethoxybenzamide
CID 7451565
2,3-dimethoxy-N-[[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]methyl]benzamide
CID 25374410
2,3-dimethoxy-N-[[(3R)-1-(3-phenylprop-2-ynyl)piperidin-3-yl]methyl]benzamide
CID 25303260
2,3-dimethoxy-N-[[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]methyl]benzamide
CID 45212677
3-amino-N-(cyclopentylmethyl)-2-methoxybenzamide
CID 113386375
N-[(2-bromocyclopentyl)methyl]-2,3-dimethoxybenzamide
CID 114313919
N-[[(3R)-1-(2,3-dimethoxybenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 94821251
N-[1-(cyclohexylmethyl)piperidin-4-yl]-2,3-dimethoxybenzamide
CID 24848457
2,3-dimethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 4781408
N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-methoxy-2-methylbenzamide
CID 125167592
2-methoxy-N-[[(1R,3R)-3-[[(2-methoxybenzoyl)amino]methyl]cyclohexyl]methyl]benzamide
CID 7649857

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclohexylpiperidin-3-yl)methyl]-2,3-dimethoxybenzamide?
The IUPAC name of N-[(1-cyclohexylpiperidin-3-yl)methyl]-2,3-dimethoxybenzamide (CID 23723921) is N-[(1-cyclohexylpiperidin-3-yl)methyl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[(1-cyclohexylpiperidin-3-yl)methyl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-[(1-cyclohexylpiperidin-3-yl)methyl]-2,3-dimethoxybenzamide is COc1cccc(C(=O)NCC2CCCN(C3CCCCC3)C2)c1OC.
What is the InChIKey of N-[(1-cyclohexylpiperidin-3-yl)methyl]-2,3-dimethoxybenzamide?
The InChIKey is MNAVCEKGMZSNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-25-19-12-6-11-18(20(19)26-2)21(24)22-14-16-8-7-13-23(15-16)17-9-4-3-5-10-17/h6,11-12,16-17H,3-5,7-10,13-15H2,1-2H3,(H,22,24).
What are the key properties of N-[(1-cyclohexylpiperidin-3-yl)methyl]-2,3-dimethoxybenzamide?
N-[(1-cyclohexylpiperidin-3-yl)methyl]-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-cyclohexylpiperidin-3-yl)methyl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 23723921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).