2-[(3R)-1-(2-methoxybenzoyl)-3-(phenoxymethyl)piperidin-3-yl]acetamide

C22H26N2O4 — CID 124960724

IUPAC2-[(3R)-1-(2-methoxybenzoyl)-3-(phenoxymethyl)piperidin-3-yl]acetamide
SMILESCOc1ccccc1C(=O)N1CCC[C@@](COc2ccccc2)(CC(N)=O)C1
InChIInChI=1S/C22H26N2O4/c1-27-19-11-6-5-10-18(19)21(26)24-13-7-12-22(15-24,14-20(23)25)16-28-17-8-3-2-4-9-17/h2-6,8-11H,7,12-16H2,1H3,(H2,23,25)/t22-/m1/s1
InChIKeyGWPOKJONHWCBQT-JOCHJYFZSA-N
MW382.46 g/mol
LogP2.87
Rot. Bonds7

About 2-[(3R)-1-(2-methoxybenzoyl)-3-(phenoxymethyl)piperidin-3-yl]acetamide

2-[(3R)-1-(2-methoxybenzoyl)-3-(phenoxymethyl)piperidin-3-yl]acetamide (PubChem CID 124960724) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-[(3R)-1-(2-methoxybenzoyl)-3-(phenoxymethyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[(3R)-1-(2-methoxybenzoyl)-3-(phenoxymethyl)piperidin-3-yl]acetamide
PubChem CID124960724
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name2-[(3R)-1-(2-methoxybenzoyl)-3-(phenoxymethyl)piperidin-3-yl]acetamide
SMILESCOc1ccccc1C(=O)N1CCC[C@@](COc2ccccc2)(CC(N)=O)C1
InChIInChI=1S/C22H26N2O4/c1-27-19-11-6-5-10-18(19)21(26)24-13-7-12-22(15-24,14-20(23)25)16-28-17-8-3-2-4-9-17/h2-6,8-11H,7,12-16H2,1H3,(H2,23,25)/t22-/m1/s1
InChIKeyGWPOKJONHWCBQT-JOCHJYFZSA-N
XLogP2.87
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-1-(4-methylbenzoyl)-3-(phenoxymethyl)piperidin-3-yl]acetamide
CID 125024237
2-[(3S)-3-[(4-chlorophenoxy)methyl]-1-(2-chloropyridine-3-carbonyl)piperidin-3-yl]acetamide
CID 125000182
2-[(3S)-3-[(4-chlorophenoxy)methyl]-1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide
CID 125011059
2-[(3S)-1-(2-bromobenzoyl)-3-(phenoxymethyl)piperidin-3-yl]-1-piperidin-1-ylethanone
CID 124983058
2-[(3S)-1-(2-bromobenzoyl)-3-[(4-chloro-3-methylphenoxy)methyl]piperidin-3-yl]acetamide
CID 124992539
2-[1-(4-chlorobenzoyl)-3-[(4-chlorophenoxy)methyl]piperidin-3-yl]acetamide
CID 110080510
2-[1-(2-fluorobenzoyl)-3-(phenoxymethyl)piperidin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 110081498
2-[3-(phenoxymethyl)-1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]-1-piperidin-1-ylethanone
CID 110081457
2-[1-(4-ethylbenzoyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide
CID 110080380
2-[1-(2-chloropyridine-3-carbonyl)-3-(phenoxymethyl)piperidin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 110081518
2-[1-(1,2-dimethylindole-3-carbonyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide
CID 110080364
2-[(3R)-1-(2-fluorobenzoyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]-1-piperidin-1-ylethanone
CID 124992143

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-(2-methoxybenzoyl)-3-(phenoxymethyl)piperidin-3-yl]acetamide?
The IUPAC name of 2-[(3R)-1-(2-methoxybenzoyl)-3-(phenoxymethyl)piperidin-3-yl]acetamide (CID 124960724) is 2-[(3R)-1-(2-methoxybenzoyl)-3-(phenoxymethyl)piperidin-3-yl]acetamide.
What is the SMILES notation for 2-[(3R)-1-(2-methoxybenzoyl)-3-(phenoxymethyl)piperidin-3-yl]acetamide?
The canonical SMILES for 2-[(3R)-1-(2-methoxybenzoyl)-3-(phenoxymethyl)piperidin-3-yl]acetamide is COc1ccccc1C(=O)N1CCC[C@@](COc2ccccc2)(CC(N)=O)C1.
What is the InChIKey of 2-[(3R)-1-(2-methoxybenzoyl)-3-(phenoxymethyl)piperidin-3-yl]acetamide?
The InChIKey is GWPOKJONHWCBQT-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-27-19-11-6-5-10-18(19)21(26)24-13-7-12-22(15-24,14-20(23)25)16-28-17-8-3-2-4-9-17/h2-6,8-11H,7,12-16H2,1H3,(H2,23,25)/t22-/m1/s1.
What are the key properties of 2-[(3R)-1-(2-methoxybenzoyl)-3-(phenoxymethyl)piperidin-3-yl]acetamide?
2-[(3R)-1-(2-methoxybenzoyl)-3-(phenoxymethyl)piperidin-3-yl]acetamide has a molecular weight of 382.46 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-(2-methoxybenzoyl)-3-(phenoxymethyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 124960724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).