2-[(2R)-1-[3-(3,4-dimethylphenoxy)propanoyl]piperidin-2-yl]acetamide

C18H26N2O3 — CID 52811665

IUPAC2-[(2R)-1-[3-(3,4-dimethylphenoxy)propanoyl]piperidin-2-yl]acetamide
SMILESCc1ccc(OCCC(=O)N2CCCC[C@@H]2CC(N)=O)cc1C
InChIInChI=1S/C18H26N2O3/c1-13-6-7-16(11-14(13)2)23-10-8-18(22)20-9-4-3-5-15(20)12-17(19)21/h6-7,11,15H,3-5,8-10,12H2,1-2H3,(H2,19,21)/t15-/m1/s1
InChIKeyHMKOOZBQLPDIQO-OAHLLOKOSA-N
MW318.42 g/mol
LogP2.33
Rot. Bonds6

About 2-[(2R)-1-[3-(3,4-dimethylphenoxy)propanoyl]piperidin-2-yl]acetamide

2-[(2R)-1-[3-(3,4-dimethylphenoxy)propanoyl]piperidin-2-yl]acetamide (PubChem CID 52811665) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-[(2R)-1-[3-(3,4-dimethylphenoxy)propanoyl]piperidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2R)-1-[3-(3,4-dimethylphenoxy)propanoyl]piperidin-2-yl]acetamide
PubChem CID52811665
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name2-[(2R)-1-[3-(3,4-dimethylphenoxy)propanoyl]piperidin-2-yl]acetamide
SMILESCc1ccc(OCCC(=O)N2CCCC[C@@H]2CC(N)=O)cc1C
InChIInChI=1S/C18H26N2O3/c1-13-6-7-16(11-14(13)2)23-10-8-18(22)20-9-4-3-5-15(20)12-17(19)21/h6-7,11,15H,3-5,8-10,12H2,1-2H3,(H2,19,21)/t15-/m1/s1
InChIKeyHMKOOZBQLPDIQO-OAHLLOKOSA-N
XLogP2.33
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[[1-[3-(3,4-dimethylphenoxy)propanoyl]piperidin-2-yl]methyl]propanamide
CID 120578155
2-(3,4-dimethylphenoxy)-1-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116636323
1-[2-(hydroxymethyl)azepan-1-yl]-3-(4-methylphenoxy)propan-1-one
CID 116636124
methyl 2-[1-[3-(4-fluorophenoxy)propanoyl]piperidin-2-yl]acetate
CID 60520937
2-[(2S)-1-[3-(2-methoxyethoxy)benzoyl]piperidin-2-yl]acetamide
CID 95293638
2-[(2S)-1-[2-(2-methylphenyl)acetyl]piperidin-2-yl]acetamide
CID 95293984
1-[2-(aminomethyl)piperidin-1-yl]-3-(4-propan-2-ylphenoxy)propan-1-one
CID 119466873
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-(3,4-dimethylphenoxy)propan-1-one
CID 55565941
[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 9492469
1-[2-(aminomethyl)pyrrolidin-1-yl]-4-(4-chloro-3-methylphenoxy)butan-1-one
CID 119631922
1-[2-(3,4-dimethylphenoxy)acetyl]piperidine-2-carboxylic acid
CID 43092192
3-(3,4-dimethylphenoxy)-1-piperazin-1-ylpropan-1-one
CID 39257182

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[3-(3,4-dimethylphenoxy)propanoyl]piperidin-2-yl]acetamide?
The IUPAC name of 2-[(2R)-1-[3-(3,4-dimethylphenoxy)propanoyl]piperidin-2-yl]acetamide (CID 52811665) is 2-[(2R)-1-[3-(3,4-dimethylphenoxy)propanoyl]piperidin-2-yl]acetamide.
What is the SMILES notation for 2-[(2R)-1-[3-(3,4-dimethylphenoxy)propanoyl]piperidin-2-yl]acetamide?
The canonical SMILES for 2-[(2R)-1-[3-(3,4-dimethylphenoxy)propanoyl]piperidin-2-yl]acetamide is Cc1ccc(OCCC(=O)N2CCCC[C@@H]2CC(N)=O)cc1C.
What is the InChIKey of 2-[(2R)-1-[3-(3,4-dimethylphenoxy)propanoyl]piperidin-2-yl]acetamide?
The InChIKey is HMKOOZBQLPDIQO-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-13-6-7-16(11-14(13)2)23-10-8-18(22)20-9-4-3-5-15(20)12-17(19)21/h6-7,11,15H,3-5,8-10,12H2,1-2H3,(H2,19,21)/t15-/m1/s1.
What are the key properties of 2-[(2R)-1-[3-(3,4-dimethylphenoxy)propanoyl]piperidin-2-yl]acetamide?
2-[(2R)-1-[3-(3,4-dimethylphenoxy)propanoyl]piperidin-2-yl]acetamide has a molecular weight of 318.42 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[3-(3,4-dimethylphenoxy)propanoyl]piperidin-2-yl]acetamide is sourced from PubChem (CID 52811665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).