N-(2-phenoxyphenyl)-3-(4-phenylmethoxypiperidin-1-yl)propanamide

C27H30N2O3 — CID 55482829

IUPACN-(2-phenoxyphenyl)-3-(4-phenylmethoxypiperidin-1-yl)propanamide
SMILESO=C(CCN1CCC(OCc2ccccc2)CC1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C27H30N2O3/c30-27(28-25-13-7-8-14-26(25)32-24-11-5-2-6-12-24)17-20-29-18-15-23(16-19-29)31-21-22-9-3-1-4-10-22/h1-14,23H,15-21H2,(H,28,30)
InChIKeyFOMDLURAWVSTCN-UHFFFAOYSA-N
MW430.55 g/mol
LogP5.49
Rot. Bonds9

About N-(2-phenoxyphenyl)-3-(4-phenylmethoxypiperidin-1-yl)propanamide

N-(2-phenoxyphenyl)-3-(4-phenylmethoxypiperidin-1-yl)propanamide (PubChem CID 55482829) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-(2-phenoxyphenyl)-3-(4-phenylmethoxypiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-phenoxyphenyl)-3-(4-phenylmethoxypiperidin-1-yl)propanamide
PubChem CID55482829
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC NameN-(2-phenoxyphenyl)-3-(4-phenylmethoxypiperidin-1-yl)propanamide
SMILESO=C(CCN1CCC(OCc2ccccc2)CC1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C27H30N2O3/c30-27(28-25-13-7-8-14-26(25)32-24-11-5-2-6-12-24)17-20-29-18-15-23(16-19-29)31-21-22-9-3-1-4-10-22/h1-14,23H,15-21H2,(H,28,30)
InChIKeyFOMDLURAWVSTCN-UHFFFAOYSA-N
XLogP5.49
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(2-phenoxyphenyl)propanamide
CID 30722426
N-(2-phenoxyphenyl)-2-phenylacetamide
CID 1121260
3-(2-ethylpiperidin-1-yl)-N-(2-phenoxyphenyl)propanamide
CID 109032793
N-(2,5-dimethylphenyl)-3-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]propanamide
CID 50966390
3-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 56525571
(4R)-1-[2-(dimethylamino)ethyl]-N-(2-phenoxyphenyl)-4-phenylmethoxypyrrolidine-2-carboxamide
CID 44513483
N-[2-(4-ethoxyphenoxy)phenyl]-3-phenylmethoxypropanamide
CID 60546146
2-(cyclopropylamino)-N-(2-phenoxyphenyl)acetamide
CID 60647217
N-(2-phenoxyphenyl)decanamide
CID 4091110
N-(2-ethoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide
CID 109017715
2-[(3R)-3-methylpiperidin-1-yl]-N-(2-phenoxyphenyl)acetamide
CID 8903480
N-(2-chlorophenyl)-3-[4-(2-ethoxyphenoxy)piperidin-1-yl]propanamide
CID 47532727

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyphenyl)-3-(4-phenylmethoxypiperidin-1-yl)propanamide?
The IUPAC name of N-(2-phenoxyphenyl)-3-(4-phenylmethoxypiperidin-1-yl)propanamide (CID 55482829) is N-(2-phenoxyphenyl)-3-(4-phenylmethoxypiperidin-1-yl)propanamide.
What is the SMILES notation for N-(2-phenoxyphenyl)-3-(4-phenylmethoxypiperidin-1-yl)propanamide?
The canonical SMILES for N-(2-phenoxyphenyl)-3-(4-phenylmethoxypiperidin-1-yl)propanamide is O=C(CCN1CCC(OCc2ccccc2)CC1)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of N-(2-phenoxyphenyl)-3-(4-phenylmethoxypiperidin-1-yl)propanamide?
The InChIKey is FOMDLURAWVSTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3/c30-27(28-25-13-7-8-14-26(25)32-24-11-5-2-6-12-24)17-20-29-18-15-23(16-19-29)31-21-22-9-3-1-4-10-22/h1-14,23H,15-21H2,(H,28,30).
What are the key properties of N-(2-phenoxyphenyl)-3-(4-phenylmethoxypiperidin-1-yl)propanamide?
N-(2-phenoxyphenyl)-3-(4-phenylmethoxypiperidin-1-yl)propanamide has a molecular weight of 430.55 g/mol, XLogP of 5.49, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyphenyl)-3-(4-phenylmethoxypiperidin-1-yl)propanamide is sourced from PubChem (CID 55482829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).