[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl] 4-butylbenzoate

C26H31NO5 — CID 130193111

IUPAC[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl] 4-butylbenzoate
SMILESCCCCc1ccc(C(=O)OCC(=O)N2CCC(C(=O)c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C26H31NO5/c1-3-4-5-19-6-8-22(9-7-19)26(30)32-18-24(28)27-16-14-21(15-17-27)25(29)20-10-12-23(31-2)13-11-20/h6-13,21H,3-5,14-18H2,1-2H3
InChIKeyIXDNNUHCZPHTNF-UHFFFAOYSA-N
MW437.54 g/mol
LogP4.32
Rot. Bonds9

About [2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl] 4-butylbenzoate

[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl] 4-butylbenzoate (PubChem CID 130193111) has the molecular formula C26H31NO5 and a molecular weight of 437.54 g/mol. Its IUPAC name is [2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl] 4-butylbenzoate.

Molecular Properties

Compound Name[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl] 4-butylbenzoate
PubChem CID130193111
Molecular FormulaC26H31NO5
Molecular Weight437.54 g/mol
Exact Mass437.22
IUPAC Name[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl] 4-butylbenzoate
SMILESCCCCc1ccc(C(=O)OCC(=O)N2CCC(C(=O)c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C26H31NO5/c1-3-4-5-19-6-8-22(9-7-19)26(30)32-18-24(28)27-16-14-21(15-17-27)25(29)20-10-12-23(31-2)13-11-20/h6-13,21H,3-5,14-18H2,1-2H3
InChIKeyIXDNNUHCZPHTNF-UHFFFAOYSA-N
XLogP4.32
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-ethylphenyl)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]propan-1-one
CID 25474786
2-(4-ethylphenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]ethanone
CID 25474322
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 41307378
5-(4-bromophenyl)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]pentan-1-one
CID 55791274
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(4-propoxyphenoxy)ethanone
CID 55501802
[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 119276704
2-[4-(4-methoxybenzoyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 55500827
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 25474842
(4-butylphenyl)-cyclobutylmethanone;ethane
CID 177148339
3-(3-fluoro-4-methoxyphenyl)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]propan-1-one
CID 51324275
amino 4-butylbenzoate
CID 68976158
methyl 1-[2-(4-phenylmethoxybenzoyl)oxyacetyl]piperidine-4-carboxylate
CID 7264067

Frequently Asked Questions

What is the IUPAC name of [2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl] 4-butylbenzoate?
The IUPAC name of [2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl] 4-butylbenzoate (CID 130193111) is [2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl] 4-butylbenzoate.
What is the SMILES notation for [2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl] 4-butylbenzoate?
The canonical SMILES for [2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl] 4-butylbenzoate is CCCCc1ccc(C(=O)OCC(=O)N2CCC(C(=O)c3ccc(OC)cc3)CC2)cc1.
What is the InChIKey of [2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl] 4-butylbenzoate?
The InChIKey is IXDNNUHCZPHTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO5/c1-3-4-5-19-6-8-22(9-7-19)26(30)32-18-24(28)27-16-14-21(15-17-27)25(29)20-10-12-23(31-2)13-11-20/h6-13,21H,3-5,14-18H2,1-2H3.
What are the key properties of [2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl] 4-butylbenzoate?
[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl] 4-butylbenzoate has a molecular weight of 437.54 g/mol, XLogP of 4.32, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl] 4-butylbenzoate is sourced from PubChem (CID 130193111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).