3,5-dimethoxy-N-[1-[(1S)-1-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidin-3-yl]benzamide

C25H34N2O4 — CID 71124578

IUPAC3,5-dimethoxy-N-[1-[(1S)-1-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidin-3-yl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NC2CCCN([C@@H](C)c3ccc(OC)c(C)c3C)C2)c1
InChIInChI=1S/C25H34N2O4/c1-16-17(2)24(31-6)10-9-23(16)18(3)27-11-7-8-20(15-27)26-25(28)19-12-21(29-4)14-22(13-19)30-5/h9-10,12-14,18,20H,7-8,11,15H2,1-6H3,(H,26,28)/t18-,20?/m0/s1
InChIKeyAEVPNDJEHAWVCX-LROBGIAVSA-N
MW426.56 g/mol
LogP4.28
Rot. Bonds7

About 3,5-dimethoxy-N-[1-[(1S)-1-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidin-3-yl]benzamide

3,5-dimethoxy-N-[1-[(1S)-1-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidin-3-yl]benzamide (PubChem CID 71124578) has the molecular formula C25H34N2O4 and a molecular weight of 426.56 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[1-[(1S)-1-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidin-3-yl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[1-[(1S)-1-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidin-3-yl]benzamide
PubChem CID71124578
Molecular FormulaC25H34N2O4
Molecular Weight426.56 g/mol
Exact Mass426.25
IUPAC Name3,5-dimethoxy-N-[1-[(1S)-1-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidin-3-yl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NC2CCCN([C@@H](C)c3ccc(OC)c(C)c3C)C2)c1
InChIInChI=1S/C25H34N2O4/c1-16-17(2)24(31-6)10-9-23(16)18(3)27-11-7-8-20(15-27)26-25(28)19-12-21(29-4)14-22(13-19)30-5/h9-10,12-14,18,20H,7-8,11,15H2,1-6H3,(H,26,28)/t18-,20?/m0/s1
InChIKeyAEVPNDJEHAWVCX-LROBGIAVSA-N
XLogP4.28
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,5-dimethoxy-N-[1-[(1S)-1-(4-methoxy-2,3-dimethylphenyl)ethyl]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

3-methoxy-N-[(3R)-1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]pyrrolidin-3-yl]-5-(4-morpholin-4-ylbutoxy)benzamide
CID 71124727
N-[(3R)-1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]pyrrolidin-3-yl]pyridine-4-carboxamide
CID 71124574
2-hydroxy-5-methoxy-N-[(3R)-1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]pyrrolidin-3-yl]benzamide
CID 71124980
2-[3-[4-(dimethylamino)butoxy]-5-methoxyphenyl]-N-[1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidin-4-yl]acetamide
CID 143622611
N-cyclopentyl-3,5-dimethoxybenzamide
CID 2303723
[1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidin-3-yl]methanamine
CID 69192601
1-[1-(2-methoxy-5-methylphenyl)ethyl]-N-methylpiperidin-3-amine
CID 62534235
N-[[1-[1-[4-[4-(dimethylamino)butoxy]-2,3-dimethylphenyl]ethyl]piperidin-3-yl]methyl]-3-fluoro-4-methoxybenzamide
CID 143623007
5-chloro-6-ethyl-N-[1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-2-methylazonan-4-yl]pyridine-3-carboxamide
CID 143623145
N-[1-[1-[4-(2-methoxyethoxy)-2,3-dimethylphenyl]ethyl]piperidin-4-yl]cycloheptanecarboxamide
CID 71124949
3,5-dimethoxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119424226
1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]azetidin-3-amine
CID 69186784

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[1-[(1S)-1-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidin-3-yl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[1-[(1S)-1-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidin-3-yl]benzamide (CID 71124578) is 3,5-dimethoxy-N-[1-[(1S)-1-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidin-3-yl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[1-[(1S)-1-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidin-3-yl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[1-[(1S)-1-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidin-3-yl]benzamide is COc1cc(OC)cc(C(=O)NC2CCCN([C@@H](C)c3ccc(OC)c(C)c3C)C2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[1-[(1S)-1-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidin-3-yl]benzamide?
The InChIKey is AEVPNDJEHAWVCX-LROBGIAVSA-N. The full InChI is InChI=1S/C25H34N2O4/c1-16-17(2)24(31-6)10-9-23(16)18(3)27-11-7-8-20(15-27)26-25(28)19-12-21(29-4)14-22(13-19)30-5/h9-10,12-14,18,20H,7-8,11,15H2,1-6H3,(H,26,28)/t18-,20?/m0/s1.
What are the key properties of 3,5-dimethoxy-N-[1-[(1S)-1-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidin-3-yl]benzamide?
3,5-dimethoxy-N-[1-[(1S)-1-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidin-3-yl]benzamide has a molecular weight of 426.56 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[1-[(1S)-1-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidin-3-yl]benzamide is sourced from PubChem (CID 71124578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).