2-(4-chlorophenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-methylpropan-1-one

C23H26ClNO4 — CID 25474118

IUPAC2-(4-chlorophenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-methylpropan-1-one
SMILESCOc1ccc(C(=O)C2CCN(C(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C23H26ClNO4/c1-23(2,29-20-10-6-18(24)7-11-20)22(27)25-14-12-17(13-15-25)21(26)16-4-8-19(28-3)9-5-16/h4-11,17H,12-15H2,1-3H3
InChIKeyJEXAUOJEQFWHMC-UHFFFAOYSA-N
MW415.92 g/mol
LogP4.63
Rot. Bonds6

About 2-(4-chlorophenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-methylpropan-1-one

2-(4-chlorophenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 25474118) has the molecular formula C23H26ClNO4 and a molecular weight of 415.92 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-methylpropan-1-one
PubChem CID25474118
Molecular FormulaC23H26ClNO4
Molecular Weight415.92 g/mol
Exact Mass415.16
IUPAC Name2-(4-chlorophenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-methylpropan-1-one
SMILESCOc1ccc(C(=O)C2CCN(C(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C23H26ClNO4/c1-23(2,29-20-10-6-18(24)7-11-20)22(27)25-14-12-17(13-15-25)21(26)16-4-8-19(28-3)9-5-16/h4-11,17H,12-15H2,1-3H3
InChIKeyJEXAUOJEQFWHMC-UHFFFAOYSA-N
XLogP4.63
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-methylpropan-1-one
CID 24615476
1-[2-(4-chlorophenoxy)-2-methylpropanoyl]piperidine-4-carboxamide
CID 754662
2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 167632774
1-[2-(4-chlorophenoxy)-2-methylpropanoyl]pyrrolidine-3-carboxamide
CID 56813709
tert-butyl 4-(4-chlorobenzoyl)piperidine-1-carboxylate
CID 10519988
2-(4-chlorophenoxy)-1-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 114680050
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473798
2-(4-chlorophenoxy)-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-methylpropan-1-one
CID 121161323
[1-(4-tert-butylcyclohexanecarbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 41307097
2-(4-chlorophenoxy)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 7551162
methyl 1-[2-(4-chlorophenoxy)-2-methylpropanoyl]piperidine-3-carboxylate
CID 108754829
[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 134093506

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 2-(4-chlorophenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-methylpropan-1-one (CID 25474118) is 2-(4-chlorophenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 2-(4-chlorophenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-methylpropan-1-one is COc1ccc(C(=O)C2CCN(C(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is JEXAUOJEQFWHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClNO4/c1-23(2,29-20-10-6-18(24)7-11-20)22(27)25-14-12-17(13-15-25)21(26)16-4-8-19(28-3)9-5-16/h4-11,17H,12-15H2,1-3H3.
What are the key properties of 2-(4-chlorophenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-methylpropan-1-one?
2-(4-chlorophenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 415.92 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 25474118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).