N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-[(3R)-piperidin-3-yl]benzamide

C23H30N2O3 — CID 97198063

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-[(3R)-piperidin-3-yl]benzamide
SMILESCOc1ccc(CCN(C)C(=O)c2ccc([C@H]3CCCNC3)cc2)cc1OC
InChIInChI=1S/C23H30N2O3/c1-25(14-12-17-6-11-21(27-2)22(15-17)28-3)23(26)19-9-7-18(8-10-19)20-5-4-13-24-16-20/h6-11,15,20,24H,4-5,12-14,16H2,1-3H3/t20-/m0/s1
InChIKeyCKUQSEPFZRNOHV-FQEVSTJZSA-N
MW382.50 g/mol
LogP3.49
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-[(3R)-piperidin-3-yl]benzamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-[(3R)-piperidin-3-yl]benzamide (PubChem CID 97198063) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-[(3R)-piperidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-[(3R)-piperidin-3-yl]benzamide
PubChem CID97198063
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-[(3R)-piperidin-3-yl]benzamide
SMILESCOc1ccc(CCN(C)C(=O)c2ccc([C@H]3CCCNC3)cc2)cc1OC
InChIInChI=1S/C23H30N2O3/c1-25(14-12-17-6-11-21(27-2)22(15-17)28-3)23(26)19-9-7-18(8-10-19)20-5-4-13-24-16-20/h6-11,15,20,24H,4-5,12-14,16H2,1-3H3/t20-/m0/s1
InChIKeyCKUQSEPFZRNOHV-FQEVSTJZSA-N
XLogP3.49
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-[(3R)-piperidin-3-yl]benzamide 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

N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-[(3S)-piperidin-3-yl]benzamide
CID 97200510
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-(1H-pyrazol-5-yl)benzamide
CID 72928420
3-(3,4-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)propanamide
CID 119464205
N-methyl-4-[(3S)-piperidin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 97202795
4-(benzenesulfonamido)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylbenzamide
CID 38009998
(4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]azepane-4-carboxamide
CID 125447240
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide
CID 26826334
1-N-cyclopropyl-4-N-[(3,4-dimethoxyphenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 178070560
2-(2-methoxy-4-piperidin-3-ylphenoxy)propanamide
CID 117100231
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119790264
3-(4-piperidin-3-ylphenyl)propanoic acid
CID 116988287
2-(3,4-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 79016620

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-[(3R)-piperidin-3-yl]benzamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-[(3R)-piperidin-3-yl]benzamide (CID 97198063) is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-[(3R)-piperidin-3-yl]benzamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-[(3R)-piperidin-3-yl]benzamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-[(3R)-piperidin-3-yl]benzamide is COc1ccc(CCN(C)C(=O)c2ccc([C@H]3CCCNC3)cc2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-[(3R)-piperidin-3-yl]benzamide?
The InChIKey is CKUQSEPFZRNOHV-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-25(14-12-17-6-11-21(27-2)22(15-17)28-3)23(26)19-9-7-18(8-10-19)20-5-4-13-24-16-20/h6-11,15,20,24H,4-5,12-14,16H2,1-3H3/t20-/m0/s1.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-[(3R)-piperidin-3-yl]benzamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-[(3R)-piperidin-3-yl]benzamide has a molecular weight of 382.50 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-[(3R)-piperidin-3-yl]benzamide is sourced from PubChem (CID 97198063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).