[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4-benzoylbenzoate

C22H23NO4 — CID 18078989

IUPAC[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4-benzoylbenzoate
SMILESCC1CCCN(C(=O)COC(=O)c2ccc(C(=O)c3ccccc3)cc2)C1
InChIInChI=1S/C22H23NO4/c1-16-6-5-13-23(14-16)20(24)15-27-22(26)19-11-9-18(10-12-19)21(25)17-7-3-2-4-8-17/h2-4,7-12,16H,5-6,13-15H2,1H3
InChIKeySGZWWUBWTXVQJT-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.33
Rot. Bonds5

About [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4-benzoylbenzoate

[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4-benzoylbenzoate (PubChem CID 18078989) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4-benzoylbenzoate.

Molecular Properties

Compound Name[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4-benzoylbenzoate
PubChem CID18078989
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4-benzoylbenzoate
SMILESCC1CCCN(C(=O)COC(=O)c2ccc(C(=O)c3ccccc3)cc2)C1
InChIInChI=1S/C22H23NO4/c1-16-6-5-13-23(14-16)20(24)15-27-22(26)19-11-9-18(10-12-19)21(25)17-7-3-2-4-8-17/h2-4,7-12,16H,5-6,13-15H2,1H3
InChIKeySGZWWUBWTXVQJT-UHFFFAOYSA-N
XLogP3.33
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 4-methylbenzoate
CID 2355163
[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-(4-benzoylphenoxy)acetate
CID 8925634
[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 4-phenylmethoxybenzoate
CID 9107081
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 3-phenoxybenzoate
CID 17409284
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 3-methylbenzoate
CID 2401543
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4-acetamidobenzoate
CID 4652070
[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678453
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 4-(4-methylpiperidin-1-yl)sulfonylbenzoate
CID 7830653
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 3-(benzenesulfonamido)benzoate
CID 7247767
[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 7377138
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4-(2-oxopiperidin-1-yl)benzoate
CID 55441601
[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-benzyl-1,3-dioxoisoindole-5-carboxylate
CID 7738702

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4-benzoylbenzoate?
The IUPAC name of [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4-benzoylbenzoate (CID 18078989) is [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4-benzoylbenzoate.
What is the SMILES notation for [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4-benzoylbenzoate?
The canonical SMILES for [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4-benzoylbenzoate is CC1CCCN(C(=O)COC(=O)c2ccc(C(=O)c3ccccc3)cc2)C1.
What is the InChIKey of [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4-benzoylbenzoate?
The InChIKey is SGZWWUBWTXVQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-16-6-5-13-23(14-16)20(24)15-27-22(26)19-11-9-18(10-12-19)21(25)17-7-3-2-4-8-17/h2-4,7-12,16H,5-6,13-15H2,1H3.
What are the key properties of [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4-benzoylbenzoate?
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4-benzoylbenzoate has a molecular weight of 365.43 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4-benzoylbenzoate is sourced from PubChem (CID 18078989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).