2-[(3R)-1-(4-methylbenzoyl)-3-(phenoxymethyl)piperidin-3-yl]acetamide

C22H26N2O3 — CID 125024237

IUPAC2-[(3R)-1-(4-methylbenzoyl)-3-(phenoxymethyl)piperidin-3-yl]acetamide
SMILESCc1ccc(C(=O)N2CCC[C@@](COc3ccccc3)(CC(N)=O)C2)cc1
InChIInChI=1S/C22H26N2O3/c1-17-8-10-18(11-9-17)21(26)24-13-5-12-22(15-24,14-20(23)25)16-27-19-6-3-2-4-7-19/h2-4,6-11H,5,12-16H2,1H3,(H2,23,25)/t22-/m1/s1
InChIKeyZDYLLYREUIPQFI-JOCHJYFZSA-N
MW366.46 g/mol
LogP3.17
Rot. Bonds6

About 2-[(3R)-1-(4-methylbenzoyl)-3-(phenoxymethyl)piperidin-3-yl]acetamide

2-[(3R)-1-(4-methylbenzoyl)-3-(phenoxymethyl)piperidin-3-yl]acetamide (PubChem CID 125024237) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-[(3R)-1-(4-methylbenzoyl)-3-(phenoxymethyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[(3R)-1-(4-methylbenzoyl)-3-(phenoxymethyl)piperidin-3-yl]acetamide
PubChem CID125024237
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name2-[(3R)-1-(4-methylbenzoyl)-3-(phenoxymethyl)piperidin-3-yl]acetamide
SMILESCc1ccc(C(=O)N2CCC[C@@](COc3ccccc3)(CC(N)=O)C2)cc1
InChIInChI=1S/C22H26N2O3/c1-17-8-10-18(11-9-17)21(26)24-13-5-12-22(15-24,14-20(23)25)16-27-19-6-3-2-4-7-19/h2-4,6-11H,5,12-16H2,1H3,(H2,23,25)/t22-/m1/s1
InChIKeyZDYLLYREUIPQFI-JOCHJYFZSA-N
XLogP3.17
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-1-(4-methylbenzoyl)-3-(phenoxymethyl)piperidin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 125017426
2-[1-(4-chlorobenzoyl)-3-[(4-chlorophenoxy)methyl]piperidin-3-yl]acetamide
CID 110080510
2-[(3R)-1-(2-methoxybenzoyl)-3-(phenoxymethyl)piperidin-3-yl]acetamide
CID 124960724
2-[1-(4-ethylbenzoyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide
CID 110080380
2-[(3R)-1-(4-chlorobenzoyl)-3-(phenoxymethyl)piperidin-3-yl]-1-piperidin-1-ylethanone
CID 125013729
2-[1-benzoyl-3-(phenoxymethyl)piperidin-3-yl]-1-morpholin-4-ylethanone
CID 155990434
2-[1-benzoyl-3-(phenoxymethyl)piperidin-3-yl]-N-benzyl-N-methylacetamide
CID 110081175
2-[(3R)-1-(4-tert-butylbenzoyl)-3-(phenoxymethyl)piperidin-3-yl]-1-morpholin-4-ylethanone
CID 124982974
2-[(3S)-3-[(4-chloro-3-methylphenoxy)methyl]-1-[4-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide
CID 124947959
2-[(3R)-1-(3-chloro-4-fluorobenzoyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide
CID 124944696
2-[(3R)-3-[(4-fluorophenoxy)methyl]-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide
CID 124960218
2-[1-(1,2-dimethylindole-3-carbonyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide
CID 110080364

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-(4-methylbenzoyl)-3-(phenoxymethyl)piperidin-3-yl]acetamide?
The IUPAC name of 2-[(3R)-1-(4-methylbenzoyl)-3-(phenoxymethyl)piperidin-3-yl]acetamide (CID 125024237) is 2-[(3R)-1-(4-methylbenzoyl)-3-(phenoxymethyl)piperidin-3-yl]acetamide.
What is the SMILES notation for 2-[(3R)-1-(4-methylbenzoyl)-3-(phenoxymethyl)piperidin-3-yl]acetamide?
The canonical SMILES for 2-[(3R)-1-(4-methylbenzoyl)-3-(phenoxymethyl)piperidin-3-yl]acetamide is Cc1ccc(C(=O)N2CCC[C@@](COc3ccccc3)(CC(N)=O)C2)cc1.
What is the InChIKey of 2-[(3R)-1-(4-methylbenzoyl)-3-(phenoxymethyl)piperidin-3-yl]acetamide?
The InChIKey is ZDYLLYREUIPQFI-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-17-8-10-18(11-9-17)21(26)24-13-5-12-22(15-24,14-20(23)25)16-27-19-6-3-2-4-7-19/h2-4,6-11H,5,12-16H2,1H3,(H2,23,25)/t22-/m1/s1.
What are the key properties of 2-[(3R)-1-(4-methylbenzoyl)-3-(phenoxymethyl)piperidin-3-yl]acetamide?
2-[(3R)-1-(4-methylbenzoyl)-3-(phenoxymethyl)piperidin-3-yl]acetamide has a molecular weight of 366.46 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-(4-methylbenzoyl)-3-(phenoxymethyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 125024237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).