2-(4-chlorophenoxy)-N-[2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]acetamide;hydrochloride

C20H26Cl2N2O3 — CID 146052569

IUPAC2-(4-chlorophenoxy)-N-[2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]acetamide;hydrochloride
SMILESCc1ccc(C(CNC(=O)COc2ccc(Cl)cc2)N2CCCCC2)o1.Cl
InChIInChI=1S/C20H25ClN2O3.ClH/c1-15-5-10-19(26-15)18(23-11-3-2-4-12-23)13-22-20(24)14-25-17-8-6-16(21)7-9-17;/h5-10,18H,2-4,11-14H2,1H3,(H,22,24);1H
InChIKeyPJPHCZYYSNVHTJ-UHFFFAOYSA-N
MW413.35 g/mol
LogP4.39
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-[2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]acetamide;hydrochloride

2-(4-chlorophenoxy)-N-[2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]acetamide;hydrochloride (PubChem CID 146052569) has the molecular formula C20H26Cl2N2O3 and a molecular weight of 413.35 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]acetamide;hydrochloride
PubChem CID146052569
Molecular FormulaC20H26Cl2N2O3
Molecular Weight413.35 g/mol
Exact Mass412.13
IUPAC Name2-(4-chlorophenoxy)-N-[2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]acetamide;hydrochloride
SMILESCc1ccc(C(CNC(=O)COc2ccc(Cl)cc2)N2CCCCC2)o1.Cl
InChIInChI=1S/C20H25ClN2O3.ClH/c1-15-5-10-19(26-15)18(23-11-3-2-4-12-23)13-22-20(24)14-25-17-8-6-16(21)7-9-17;/h5-10,18H,2-4,11-14H2,1H3,(H,22,24);1H
InChIKeyPJPHCZYYSNVHTJ-UHFFFAOYSA-N
XLogP4.39
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.35
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-2-phenoxyacetamide
CID 26834553
2-(4-chloro-3-methylphenoxy)-N-[2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]acetamide;hydrochloride
CID 146052575
2-(4-bromophenoxy)-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 26834661
2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 26834699
2-(2-chlorophenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 26834691
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 112503361
N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 40985997
2-(3-chlorophenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 51927031
N-[(2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 26834791
2-(4-fluorophenoxy)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 18164114
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-(4-chlorophenoxy)acetamide
CID 35042237
2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 51628719

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]acetamide;hydrochloride?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]acetamide;hydrochloride (CID 146052569) is 2-(4-chlorophenoxy)-N-[2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]acetamide;hydrochloride?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]acetamide;hydrochloride is Cc1ccc(C(CNC(=O)COc2ccc(Cl)cc2)N2CCCCC2)o1.Cl.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]acetamide;hydrochloride?
The InChIKey is PJPHCZYYSNVHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3.ClH/c1-15-5-10-19(26-15)18(23-11-3-2-4-12-23)13-22-20(24)14-25-17-8-6-16(21)7-9-17;/h5-10,18H,2-4,11-14H2,1H3,(H,22,24);1H.
What are the key properties of 2-(4-chlorophenoxy)-N-[2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]acetamide;hydrochloride?
2-(4-chlorophenoxy)-N-[2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]acetamide;hydrochloride has a molecular weight of 413.35 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]acetamide;hydrochloride is sourced from PubChem (CID 146052569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).