methyl 5-oxo-5-[3-(4-phenylbenzoyl)piperidin-1-yl]pentanoate

C24H27NO4 — CID 23723994

IUPACmethyl 5-oxo-5-[3-(4-phenylbenzoyl)piperidin-1-yl]pentanoate
SMILESCOC(=O)CCCC(=O)N1CCCC(C(=O)c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C24H27NO4/c1-29-23(27)11-5-10-22(26)25-16-6-9-21(17-25)24(28)20-14-12-19(13-15-20)18-7-3-2-4-8-18/h2-4,7-8,12-15,21H,5-6,9-11,16-17H2,1H3
InChIKeySKVZLSRQTZQUCP-UHFFFAOYSA-N
MW393.48 g/mol
LogP4.12
Rot. Bonds7

About methyl 5-oxo-5-[3-(4-phenylbenzoyl)piperidin-1-yl]pentanoate

methyl 5-oxo-5-[3-(4-phenylbenzoyl)piperidin-1-yl]pentanoate (PubChem CID 23723994) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is methyl 5-oxo-5-[3-(4-phenylbenzoyl)piperidin-1-yl]pentanoate.

Molecular Properties

Compound Namemethyl 5-oxo-5-[3-(4-phenylbenzoyl)piperidin-1-yl]pentanoate
PubChem CID23723994
Molecular FormulaC24H27NO4
Molecular Weight393.48 g/mol
Exact Mass393.19
IUPAC Namemethyl 5-oxo-5-[3-(4-phenylbenzoyl)piperidin-1-yl]pentanoate
SMILESCOC(=O)CCCC(=O)N1CCCC(C(=O)c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C24H27NO4/c1-29-23(27)11-5-10-22(26)25-16-6-9-21(17-25)24(28)20-14-12-19(13-15-20)18-7-3-2-4-8-18/h2-4,7-8,12-15,21H,5-6,9-11,16-17H2,1H3
InChIKeySKVZLSRQTZQUCP-UHFFFAOYSA-N
XLogP4.12
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-oxo-5-[3-(4-phenylbenzoyl)piperidin-1-yl]pentanoate?
The IUPAC name of methyl 5-oxo-5-[3-(4-phenylbenzoyl)piperidin-1-yl]pentanoate (CID 23723994) is methyl 5-oxo-5-[3-(4-phenylbenzoyl)piperidin-1-yl]pentanoate.
What is the SMILES notation for methyl 5-oxo-5-[3-(4-phenylbenzoyl)piperidin-1-yl]pentanoate?
The canonical SMILES for methyl 5-oxo-5-[3-(4-phenylbenzoyl)piperidin-1-yl]pentanoate is COC(=O)CCCC(=O)N1CCCC(C(=O)c2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of methyl 5-oxo-5-[3-(4-phenylbenzoyl)piperidin-1-yl]pentanoate?
The InChIKey is SKVZLSRQTZQUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO4/c1-29-23(27)11-5-10-22(26)25-16-6-9-21(17-25)24(28)20-14-12-19(13-15-20)18-7-3-2-4-8-18/h2-4,7-8,12-15,21H,5-6,9-11,16-17H2,1H3.
What are the key properties of methyl 5-oxo-5-[3-(4-phenylbenzoyl)piperidin-1-yl]pentanoate?
methyl 5-oxo-5-[3-(4-phenylbenzoyl)piperidin-1-yl]pentanoate has a molecular weight of 393.48 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-oxo-5-[3-(4-phenylbenzoyl)piperidin-1-yl]pentanoate is sourced from PubChem (CID 23723994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).