2-(2-chlorophenoxy)-1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]ethanone

C24H30ClN3O3 — CID 24792049

IUPAC2-(2-chlorophenoxy)-1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]ethanone
SMILESCOc1ccccc1N1CCN(C2CCCN(C(=O)COc3ccccc3Cl)C2)CC1
InChIInChI=1S/C24H30ClN3O3/c1-30-23-11-5-3-9-21(23)27-15-13-26(14-16-27)19-7-6-12-28(17-19)24(29)18-31-22-10-4-2-8-20(22)25/h2-5,8-11,19H,6-7,12-18H2,1H3
InChIKeyYOEJGZHZHHOVLG-UHFFFAOYSA-N
MW443.98 g/mol
LogP3.54
Rot. Bonds6

About 2-(2-chlorophenoxy)-1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]ethanone

2-(2-chlorophenoxy)-1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]ethanone (PubChem CID 24792049) has the molecular formula C24H30ClN3O3 and a molecular weight of 443.98 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]ethanone
PubChem CID24792049
Molecular FormulaC24H30ClN3O3
Molecular Weight443.98 g/mol
Exact Mass443.20
IUPAC Name2-(2-chlorophenoxy)-1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]ethanone
SMILESCOc1ccccc1N1CCN(C2CCCN(C(=O)COc3ccccc3Cl)C2)CC1
InChIInChI=1S/C24H30ClN3O3/c1-30-23-11-5-3-9-21(23)27-15-13-26(14-16-27)19-7-6-12-28(17-19)24(29)18-31-22-10-4-2-8-20(22)25/h2-5,8-11,19H,6-7,12-18H2,1H3
InChIKeyYOEJGZHZHHOVLG-UHFFFAOYSA-N
XLogP3.54
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.98
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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2-(2,4-dichlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
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1-[(2-Chlorophenoxy)acetyl]-4-(4-fluorophenyl)piperazine
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2-(4-Chlorophenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 2951236
2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-(2,3-dihydro-benzo[1,4]oxazin-4-yl)-ethanone
CID 9843137
6-Chloro-4-[2-(4-methyl-piperidin-1-yl)-2-oxo-ethyl]-4H-benzo[1,4]oxazin-3-one
CID 2995165
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(2,4-dichlorophenoxy)acetamide
CID 646744
1-[(2-Chlorophenoxy)acetyl]-4-(2-fluorophenyl)piperazine
CID 977705
2-(2-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 1086059
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-ethoxyphenyl)acetamide
CID 1091403
2-(4-Chlorophenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 1153594

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-chlorophenoxy)-1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]ethanone (CID 24792049) is 2-(2-chlorophenoxy)-1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-chlorophenoxy)-1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-chlorophenoxy)-1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]ethanone is COc1ccccc1N1CCN(C2CCCN(C(=O)COc3ccccc3Cl)C2)CC1.
What is the InChIKey of 2-(2-chlorophenoxy)-1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]ethanone?
The InChIKey is YOEJGZHZHHOVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O3/c1-30-23-11-5-3-9-21(23)27-15-13-26(14-16-27)19-7-6-12-28(17-19)24(29)18-31-22-10-4-2-8-20(22)25/h2-5,8-11,19H,6-7,12-18H2,1H3.
What are the key properties of 2-(2-chlorophenoxy)-1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]ethanone?
2-(2-chlorophenoxy)-1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]ethanone has a molecular weight of 443.98 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 24792049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).