2-(4-bromophenoxy)-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide;hydrochloride

C20H26BrClN2O2S — CID 146052459

IUPAC2-(4-bromophenoxy)-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide;hydrochloride
SMILESCC1CCN(C(CNC(=O)COc2ccc(Br)cc2)c2cccs2)CC1.Cl
InChIInChI=1S/C20H25BrN2O2S.ClH/c1-15-8-10-23(11-9-15)18(19-3-2-12-26-19)13-22-20(24)14-25-17-6-4-16(21)5-7-17;/h2-7,12,15,18H,8-11,13-14H2,1H3,(H,22,24);1H
InChIKeyLTTPMKAIZMCKEP-UHFFFAOYSA-N
MW473.86 g/mol
LogP4.90
Rot. Bonds7

About 2-(4-bromophenoxy)-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide;hydrochloride

2-(4-bromophenoxy)-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide;hydrochloride (PubChem CID 146052459) has the molecular formula C20H26BrClN2O2S and a molecular weight of 473.86 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide;hydrochloride
PubChem CID146052459
Molecular FormulaC20H26BrClN2O2S
Molecular Weight473.86 g/mol
Exact Mass472.06
IUPAC Name2-(4-bromophenoxy)-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide;hydrochloride
SMILESCC1CCN(C(CNC(=O)COc2ccc(Br)cc2)c2cccs2)CC1.Cl
InChIInChI=1S/C20H25BrN2O2S.ClH/c1-15-8-10-23(11-9-15)18(19-3-2-12-26-19)13-22-20(24)14-25-17-6-4-16(21)5-7-17;/h2-7,12,15,18H,8-11,13-14H2,1H3,(H,22,24);1H
InChIKeyLTTPMKAIZMCKEP-UHFFFAOYSA-N
XLogP4.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.86
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 35577511
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(4-propanoylphenoxy)acetamide
CID 43003426
2-(3,4-dimethylphenoxy)-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 35577553
4-bromo-N-[2-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-2-oxoethyl]benzamide
CID 112768607
2-(4-bromophenoxy)-N-[(2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]acetamide
CID 26834779
2-(2,3-dimethylphenoxy)-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 35577562
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-(4-methoxyphenoxy)acetamide
CID 35345891
2-(4-chlorophenoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide
CID 26009692
2-phenoxy-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]acetamide
CID 34949998
2-(4-methoxyphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
CID 17014749
4-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]butanamide;dihydrochloride
CID 119830784
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-(4-chlorophenoxy)acetamide
CID 35042237

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide;hydrochloride?
The IUPAC name of 2-(4-bromophenoxy)-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide;hydrochloride (CID 146052459) is 2-(4-bromophenoxy)-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide;hydrochloride?
The canonical SMILES for 2-(4-bromophenoxy)-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide;hydrochloride is CC1CCN(C(CNC(=O)COc2ccc(Br)cc2)c2cccs2)CC1.Cl.
What is the InChIKey of 2-(4-bromophenoxy)-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide;hydrochloride?
The InChIKey is LTTPMKAIZMCKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN2O2S.ClH/c1-15-8-10-23(11-9-15)18(19-3-2-12-26-19)13-22-20(24)14-25-17-6-4-16(21)5-7-17;/h2-7,12,15,18H,8-11,13-14H2,1H3,(H,22,24);1H.
What are the key properties of 2-(4-bromophenoxy)-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide;hydrochloride?
2-(4-bromophenoxy)-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide;hydrochloride has a molecular weight of 473.86 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide;hydrochloride is sourced from PubChem (CID 146052459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).