methyl 2-(4-benzoyl-1-benzyl-5-ethylpiperidin-3-yl)acetate

C24H29NO3 — CID 102081555

IUPACmethyl 2-(4-benzoyl-1-benzyl-5-ethylpiperidin-3-yl)acetate
SMILESCCC1CN(Cc2ccccc2)CC(CC(=O)OC)C1C(=O)c1ccccc1
InChIInChI=1S/C24H29NO3/c1-3-19-16-25(15-18-10-6-4-7-11-18)17-21(14-22(26)28-2)23(19)24(27)20-12-8-5-9-13-20/h4-13,19,21,23H,3,14-17H2,1-2H3
InChIKeyQCWZQOMZGILWDA-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.21
Rot. Bonds7

About methyl 2-(4-benzoyl-1-benzyl-5-ethylpiperidin-3-yl)acetate

methyl 2-(4-benzoyl-1-benzyl-5-ethylpiperidin-3-yl)acetate (PubChem CID 102081555) has the molecular formula C24H29NO3 and a molecular weight of 379.50 g/mol. Its IUPAC name is methyl 2-(4-benzoyl-1-benzyl-5-ethylpiperidin-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-benzoyl-1-benzyl-5-ethylpiperidin-3-yl)acetate
PubChem CID102081555
Molecular FormulaC24H29NO3
Molecular Weight379.50 g/mol
Exact Mass379.21
IUPAC Namemethyl 2-(4-benzoyl-1-benzyl-5-ethylpiperidin-3-yl)acetate
SMILESCCC1CN(Cc2ccccc2)CC(CC(=O)OC)C1C(=O)c1ccccc1
InChIInChI=1S/C24H29NO3/c1-3-19-16-25(15-18-10-6-4-7-11-18)17-21(14-22(26)28-2)23(19)24(27)20-12-8-5-9-13-20/h4-13,19,21,23H,3,14-17H2,1-2H3
InChIKeyQCWZQOMZGILWDA-UHFFFAOYSA-N
XLogP4.21
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4-ethylpyrrolidin-3-ol
CID 18939335
(3S,4R)-1-benzyl-4-ethylpyrrolidin-3-ol
CID 57045077
methyl 2-[(3S,4S)-1-benzyl-3-(methylamino)piperidin-4-yl]acetate
CID 59110298
methyl 2-(1-benzyl-4-methylidenepyrrolidin-3-yl)acetate
CID 15265293
methane;methyl 2-(1-benzylpiperidin-4-yl)acetate
CID 78582433
methyl 2-(1,4-dibenzylpiperazin-2-yl)acetate
CID 22710010
(3R,4R)-4-benzoyl-1-benzyl-N-ethylpyrrolidine-3-carboxamide
CID 92592724
tert-butyl 3-(1-benzyl-4-ethylpyrrolidin-3-yl)propanoate
CID 58266905
(5-benzoyl-1-benzyl-4-phenylpiperidin-3-yl)-phenylmethanone;(5-benzoyl-1-methyl-4-phenylpiperidin-3-yl)-phenylmethanone;dimethyl 1-benzyl-4-phenylpiperidine-3,5-dicarboxylate
CID 87726084
[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]-phenylmethanone
CID 69456850
(3R,4S)-1-benzyl-3-ethyl-4-methylpyrrolidine
CID 58977345
(3R,4R)-1-benzyl-3-ethyl-4-methylpyrrolidine
CID 58977426

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-benzoyl-1-benzyl-5-ethylpiperidin-3-yl)acetate?
The IUPAC name of methyl 2-(4-benzoyl-1-benzyl-5-ethylpiperidin-3-yl)acetate (CID 102081555) is methyl 2-(4-benzoyl-1-benzyl-5-ethylpiperidin-3-yl)acetate.
What is the SMILES notation for methyl 2-(4-benzoyl-1-benzyl-5-ethylpiperidin-3-yl)acetate?
The canonical SMILES for methyl 2-(4-benzoyl-1-benzyl-5-ethylpiperidin-3-yl)acetate is CCC1CN(Cc2ccccc2)CC(CC(=O)OC)C1C(=O)c1ccccc1.
What is the InChIKey of methyl 2-(4-benzoyl-1-benzyl-5-ethylpiperidin-3-yl)acetate?
The InChIKey is QCWZQOMZGILWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO3/c1-3-19-16-25(15-18-10-6-4-7-11-18)17-21(14-22(26)28-2)23(19)24(27)20-12-8-5-9-13-20/h4-13,19,21,23H,3,14-17H2,1-2H3.
What are the key properties of methyl 2-(4-benzoyl-1-benzyl-5-ethylpiperidin-3-yl)acetate?
methyl 2-(4-benzoyl-1-benzyl-5-ethylpiperidin-3-yl)acetate has a molecular weight of 379.50 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-benzoyl-1-benzyl-5-ethylpiperidin-3-yl)acetate is sourced from PubChem (CID 102081555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).