3-[(3-methylphenyl)methoxy]-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide

C25H33N3O3 — CID 39144729

IUPAC3-[(3-methylphenyl)methoxy]-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide
SMILESCCCNC(=O)CN1CCC(NC(=O)c2cccc(OCc3cccc(C)c3)c2)CC1
InChIInChI=1S/C25H33N3O3/c1-3-12-26-24(29)17-28-13-10-22(11-14-28)27-25(30)21-8-5-9-23(16-21)31-18-20-7-4-6-19(2)15-20/h4-9,15-16,22H,3,10-14,17-18H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyLEBBTGSXMOQWMB-UHFFFAOYSA-N
MW423.56 g/mol
LogP3.29
Rot. Bonds9

About 3-[(3-methylphenyl)methoxy]-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide

3-[(3-methylphenyl)methoxy]-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide (PubChem CID 39144729) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is 3-[(3-methylphenyl)methoxy]-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-[(3-methylphenyl)methoxy]-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide
PubChem CID39144729
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC Name3-[(3-methylphenyl)methoxy]-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide
SMILESCCCNC(=O)CN1CCC(NC(=O)c2cccc(OCc3cccc(C)c3)c2)CC1
InChIInChI=1S/C25H33N3O3/c1-3-12-26-24(29)17-28-13-10-22(11-14-28)27-25(30)21-8-5-9-23(16-21)31-18-20-7-4-6-19(2)15-20/h4-9,15-16,22H,3,10-14,17-18H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyLEBBTGSXMOQWMB-UHFFFAOYSA-N
XLogP3.29
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-3-(thiophen-2-ylmethoxy)benzamide
CID 39144071
3-nitro-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide
CID 39146873
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride
CID 119458703
3-fluoro-4-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide
CID 39145303
3-(methanesulfonamido)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide
CID 39135117
3-[(3-methylphenyl)methoxy]-N-(2-methylpiperidin-4-yl)benzamide
CID 120601738
3-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 17249825
N-(1-benzylpiperidin-4-yl)-3-butoxybenzamide
CID 17176524
ethyl 4-[[3-[(4-fluorophenyl)methoxy]benzoyl]amino]piperidine-1-carboxylate
CID 32964503
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-phenylmethoxybenzamide
CID 112804050
3-methoxy-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 134802039
N-[2-(ethylamino)ethyl]-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride
CID 119508535

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylphenyl)methoxy]-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide?
The IUPAC name of 3-[(3-methylphenyl)methoxy]-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide (CID 39144729) is 3-[(3-methylphenyl)methoxy]-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 3-[(3-methylphenyl)methoxy]-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide?
The canonical SMILES for 3-[(3-methylphenyl)methoxy]-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide is CCCNC(=O)CN1CCC(NC(=O)c2cccc(OCc3cccc(C)c3)c2)CC1.
What is the InChIKey of 3-[(3-methylphenyl)methoxy]-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide?
The InChIKey is LEBBTGSXMOQWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-3-12-26-24(29)17-28-13-10-22(11-14-28)27-25(30)21-8-5-9-23(16-21)31-18-20-7-4-6-19(2)15-20/h4-9,15-16,22H,3,10-14,17-18H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of 3-[(3-methylphenyl)methoxy]-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide?
3-[(3-methylphenyl)methoxy]-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide has a molecular weight of 423.56 g/mol, XLogP of 3.29, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylphenyl)methoxy]-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 39144729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).