N-[[(3R)-1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-2,3-dimethoxybenzamide

C24H32N2O3 — CID 25297300

IUPACN-[[(3R)-1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-2,3-dimethoxybenzamide
SMILESCCc1ccc(CN2CCC[C@H](CNC(=O)c3cccc(OC)c3OC)C2)cc1
InChIInChI=1S/C24H32N2O3/c1-4-18-10-12-19(13-11-18)16-26-14-6-7-20(17-26)15-25-24(27)21-8-5-9-22(28-2)23(21)29-3/h5,8-13,20H,4,6-7,14-17H2,1-3H3,(H,25,27)/t20-/m1/s1
InChIKeyAUSJXNIBCMVLSP-HXUWFJFHSA-N
MW396.53 g/mol
LogP3.91
Rot. Bonds8

About N-[[(3R)-1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-2,3-dimethoxybenzamide

N-[[(3R)-1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-2,3-dimethoxybenzamide (PubChem CID 25297300) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is N-[[(3R)-1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[[(3R)-1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-2,3-dimethoxybenzamide
PubChem CID25297300
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC NameN-[[(3R)-1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-2,3-dimethoxybenzamide
SMILESCCc1ccc(CN2CCC[C@H](CNC(=O)c3cccc(OC)c3OC)C2)cc1
InChIInChI=1S/C24H32N2O3/c1-4-18-10-12-19(13-11-18)16-26-14-6-7-20(17-26)15-25-24(27)21-8-5-9-22(28-2)23(21)29-3/h5,8-13,20H,4,6-7,14-17H2,1-3H3,(H,25,27)/t20-/m1/s1
InChIKeyAUSJXNIBCMVLSP-HXUWFJFHSA-N
XLogP3.91
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(3R)-1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-2,3-dimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dimethoxy-N-[[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]methyl]benzamide
CID 25374410
2-methoxy-N-[[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 95222271
N-[[(3R)-1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 42362575
2,3-dimethoxy-N-[[(3R)-1-(3-phenylprop-2-ynyl)piperidin-3-yl]methyl]benzamide
CID 25303260
N-[(1-cyclohexylpiperidin-3-yl)methyl]-2,3-dimethoxybenzamide
CID 23723921
N-[[1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 45190230
N-[[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 42216008
2,3-dimethoxy-N-[[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]methyl]benzamide
CID 45212677
N-[[1-(cyclohexylmethyl)piperidin-1-ium-4-yl]methyl]-2,3-dimethoxybenzamide
CID 7451565
N-[[(3R)-1-(2,3-dimethoxybenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 94821251
N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-4-bromo-1-methoxynaphthalene-2-carboxamide
CID 101346624
N-[(1-benzylpiperidin-3-yl)methyl]acetamide
CID 10444612

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-2,3-dimethoxybenzamide?
The IUPAC name of N-[[(3R)-1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-2,3-dimethoxybenzamide (CID 25297300) is N-[[(3R)-1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[[(3R)-1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-[[(3R)-1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-2,3-dimethoxybenzamide is CCc1ccc(CN2CCC[C@H](CNC(=O)c3cccc(OC)c3OC)C2)cc1.
What is the InChIKey of N-[[(3R)-1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-2,3-dimethoxybenzamide?
The InChIKey is AUSJXNIBCMVLSP-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-4-18-10-12-19(13-11-18)16-26-14-6-7-20(17-26)15-25-24(27)21-8-5-9-22(28-2)23(21)29-3/h5,8-13,20H,4,6-7,14-17H2,1-3H3,(H,25,27)/t20-/m1/s1.
What are the key properties of N-[[(3R)-1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-2,3-dimethoxybenzamide?
N-[[(3R)-1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-2,3-dimethoxybenzamide has a molecular weight of 396.53 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 25297300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).