2-methyl-N-[3-[1-[[3-(4-methylphenoxy)phenyl]methyl]piperidin-4-yl]phenyl]propanamide

C29H34N2O2 — CID 16756522

IUPAC2-methyl-N-[3-[1-[[3-(4-methylphenoxy)phenyl]methyl]piperidin-4-yl]phenyl]propanamide
SMILESCc1ccc(Oc2cccc(CN3CCC(c4cccc(NC(=O)C(C)C)c4)CC3)c2)cc1
InChIInChI=1S/C29H34N2O2/c1-21(2)29(32)30-26-8-5-7-25(19-26)24-14-16-31(17-15-24)20-23-6-4-9-28(18-23)33-27-12-10-22(3)11-13-27/h4-13,18-19,21,24H,14-17,20H2,1-3H3,(H,30,32)
InChIKeyXVSVZEAYULOQSI-UHFFFAOYSA-N
MW442.60 g/mol
LogP6.76
Rot. Bonds7

About 2-methyl-N-[3-[1-[[3-(4-methylphenoxy)phenyl]methyl]piperidin-4-yl]phenyl]propanamide

2-methyl-N-[3-[1-[[3-(4-methylphenoxy)phenyl]methyl]piperidin-4-yl]phenyl]propanamide (PubChem CID 16756522) has the molecular formula C29H34N2O2 and a molecular weight of 442.60 g/mol. Its IUPAC name is 2-methyl-N-[3-[1-[[3-(4-methylphenoxy)phenyl]methyl]piperidin-4-yl]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-[1-[[3-(4-methylphenoxy)phenyl]methyl]piperidin-4-yl]phenyl]propanamide
PubChem CID16756522
Molecular FormulaC29H34N2O2
Molecular Weight442.60 g/mol
Exact Mass442.26
IUPAC Name2-methyl-N-[3-[1-[[3-(4-methylphenoxy)phenyl]methyl]piperidin-4-yl]phenyl]propanamide
SMILESCc1ccc(Oc2cccc(CN3CCC(c4cccc(NC(=O)C(C)C)c4)CC3)c2)cc1
InChIInChI=1S/C29H34N2O2/c1-21(2)29(32)30-26-8-5-7-25(19-26)24-14-16-31(17-15-24)20-23-6-4-9-28(18-23)33-27-12-10-22(3)11-13-27/h4-13,18-19,21,24H,14-17,20H2,1-3H3,(H,30,32)
InChIKeyXVSVZEAYULOQSI-UHFFFAOYSA-N
XLogP6.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.60
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[3-[1-[[3-(4-methylphenoxy)phenyl]methyl]piperidin-4-yl]phenyl]propanamide 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-[3-[1-[[3-(4-tert-butylphenoxy)phenyl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 16756523
N-[3-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049346
N-[3-[1-[[3-(3,5-dichlorophenoxy)phenyl]methyl]piperidin-4-yl]phenyl]-2-methylprop-2-enamide
CID 89382927
N-[3-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22048629
N-[3-[1-(2-aminoethyl)piperidin-4-yl]phenyl]-2-methylpropanamide
CID 16757469
2-methyl-N-[3-[1-[3-[(4-phenoxyphenyl)carbamoylamino]-3-phenylpropyl]piperidin-4-yl]phenyl]propanamide
CID 22049038
N-[3-[1-[[4-(4-tert-butyl-1,3-thiazol-2-yl)phenyl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22048888
N-[3-[1-[2-(3-chlorophenoxy)-2-phenylethyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22048834
1-[[3-(4-methylphenoxy)phenyl]methyl]pyrrolidine
CID 90725774
2-methyl-N-[3-[1-[(1-phenyl-6-phenylmethoxyindol-3-yl)methyl]piperidin-4-yl]phenyl]propanamide
CID 22048594
2-methyl-N-[3-[1-[[4-(3H-pyridazin-2-yl)phenyl]methyl]piperidin-4-yl]phenyl]propanamide
CID 142203769
N-[3-[1-[2-(4-fluorophenoxy)-2-phenylethyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049370

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[1-[[3-(4-methylphenoxy)phenyl]methyl]piperidin-4-yl]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[3-[1-[[3-(4-methylphenoxy)phenyl]methyl]piperidin-4-yl]phenyl]propanamide (CID 16756522) is 2-methyl-N-[3-[1-[[3-(4-methylphenoxy)phenyl]methyl]piperidin-4-yl]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-[1-[[3-(4-methylphenoxy)phenyl]methyl]piperidin-4-yl]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[3-[1-[[3-(4-methylphenoxy)phenyl]methyl]piperidin-4-yl]phenyl]propanamide is Cc1ccc(Oc2cccc(CN3CCC(c4cccc(NC(=O)C(C)C)c4)CC3)c2)cc1.
What is the InChIKey of 2-methyl-N-[3-[1-[[3-(4-methylphenoxy)phenyl]methyl]piperidin-4-yl]phenyl]propanamide?
The InChIKey is XVSVZEAYULOQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O2/c1-21(2)29(32)30-26-8-5-7-25(19-26)24-14-16-31(17-15-24)20-23-6-4-9-28(18-23)33-27-12-10-22(3)11-13-27/h4-13,18-19,21,24H,14-17,20H2,1-3H3,(H,30,32).
What are the key properties of 2-methyl-N-[3-[1-[[3-(4-methylphenoxy)phenyl]methyl]piperidin-4-yl]phenyl]propanamide?
2-methyl-N-[3-[1-[[3-(4-methylphenoxy)phenyl]methyl]piperidin-4-yl]phenyl]propanamide has a molecular weight of 442.60 g/mol, XLogP of 6.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[1-[[3-(4-methylphenoxy)phenyl]methyl]piperidin-4-yl]phenyl]propanamide is sourced from PubChem (CID 16756522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).