2-(3,5-dimethylphenoxy)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide;hydrochloride

C21H29ClN2O3 — CID 146052510

IUPAC2-(3,5-dimethylphenoxy)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide;hydrochloride
SMILESCc1cc(C)cc(OCC(=O)NCC(c2ccco2)N2CCCCC2)c1.Cl
InChIInChI=1S/C21H28N2O3.ClH/c1-16-11-17(2)13-18(12-16)26-15-21(24)22-14-19(20-7-6-10-25-20)23-8-4-3-5-9-23;/h6-7,10-13,19H,3-5,8-9,14-15H2,1-2H3,(H,22,24);1H
InChIKeyWSWTUDAVXCDKTA-UHFFFAOYSA-N
MW392.93 g/mol
LogP4.04
Rot. Bonds7

About 2-(3,5-dimethylphenoxy)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide;hydrochloride

2-(3,5-dimethylphenoxy)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide;hydrochloride (PubChem CID 146052510) has the molecular formula C21H29ClN2O3 and a molecular weight of 392.93 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide;hydrochloride
PubChem CID146052510
Molecular FormulaC21H29ClN2O3
Molecular Weight392.93 g/mol
Exact Mass392.19
IUPAC Name2-(3,5-dimethylphenoxy)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide;hydrochloride
SMILESCc1cc(C)cc(OCC(=O)NCC(c2ccco2)N2CCCCC2)c1.Cl
InChIInChI=1S/C21H28N2O3.ClH/c1-16-11-17(2)13-18(12-16)26-15-21(24)22-14-19(20-7-6-10-25-20)23-8-4-3-5-9-23;/h6-7,10-13,19H,3-5,8-9,14-15H2,1-2H3,(H,22,24);1H
InChIKeyWSWTUDAVXCDKTA-UHFFFAOYSA-N
XLogP4.04
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.93
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 25161656
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(2-methylphenoxy)acetamide
CID 26834283
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 112503361
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(3-methylphenoxy)propanamide
CID 2468270
2-(2,3-dimethylphenoxy)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 23607196
2-(3,5-dimethylphenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 40776120
2-(3,4-dimethylphenoxy)-N-[(2R)-2-(furan-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 51628683
2-(2-chlorophenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 41111766
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3,5-dimethylphenoxy)acetamide
CID 26819079
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-(4-methylphenyl)acetamide
CID 41099008
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]butanamide
CID 112503325
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 60636600

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide;hydrochloride?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide;hydrochloride (CID 146052510) is 2-(3,5-dimethylphenoxy)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide;hydrochloride?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide;hydrochloride is Cc1cc(C)cc(OCC(=O)NCC(c2ccco2)N2CCCCC2)c1.Cl.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide;hydrochloride?
The InChIKey is WSWTUDAVXCDKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3.ClH/c1-16-11-17(2)13-18(12-16)26-15-21(24)22-14-19(20-7-6-10-25-20)23-8-4-3-5-9-23;/h6-7,10-13,19H,3-5,8-9,14-15H2,1-2H3,(H,22,24);1H.
What are the key properties of 2-(3,5-dimethylphenoxy)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide;hydrochloride?
2-(3,5-dimethylphenoxy)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide;hydrochloride has a molecular weight of 392.93 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide;hydrochloride is sourced from PubChem (CID 146052510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).