methyl 4-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]oxybenzoate

C23H27NO4 — CID 18096879

IUPACmethyl 4-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]oxybenzoate
SMILESCOC(=O)c1ccc(OC(C)C(=O)N2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C23H27NO4/c1-17(28-21-10-8-20(9-11-21)23(26)27-2)22(25)24-14-12-19(13-15-24)16-18-6-4-3-5-7-18/h3-11,17,19H,12-16H2,1-2H3
InChIKeyWGXHBBPKOOIJDV-UHFFFAOYSA-N
MW381.47 g/mol
LogP3.72
Rot. Bonds6

About methyl 4-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]oxybenzoate

methyl 4-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]oxybenzoate (PubChem CID 18096879) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is methyl 4-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]oxybenzoate.

Molecular Properties

Compound Namemethyl 4-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]oxybenzoate
PubChem CID18096879
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Namemethyl 4-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]oxybenzoate
SMILESCOC(=O)c1ccc(OC(C)C(=O)N2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C23H27NO4/c1-17(28-21-10-8-20(9-11-21)23(26)27-2)22(25)24-14-12-19(13-15-24)16-18-6-4-3-5-7-18/h3-11,17,19H,12-16H2,1-2H3
InChIKeyWGXHBBPKOOIJDV-UHFFFAOYSA-N
XLogP3.72
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenoxy)propan-1-one
CID 43905657
(2S)-1-(4-benzylpiperidin-1-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-one
CID 100522778
methyl 4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzoate
CID 60627945
[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate
CID 55417151
methyl 1-(2-phenoxypropanoyl)piperidine-4-carboxylate
CID 3927625
2-[(2R)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]oxybenzamide
CID 41176180
N-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]acetamide
CID 78780530
1-(4-benzylpiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one
CID 79196158
methyl 4-[3-(4-benzylpiperidin-1-yl)-2-hydroxypropoxy]benzoate chloride
CID 46863809
2-[1-[2-(4-methoxyphenoxy)propanoyl]piperidin-4-yl]acetic acid
CID 119178547
N-[(2R)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]benzamide
CID 94035900
(2R)-1-(4-benzylpiperidin-1-yl)-2-(4-fluorophenoxy)butan-1-one
CID 28567351

Frequently Asked Questions

What is the IUPAC name of methyl 4-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]oxybenzoate?
The IUPAC name of methyl 4-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]oxybenzoate (CID 18096879) is methyl 4-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]oxybenzoate.
What is the SMILES notation for methyl 4-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]oxybenzoate?
The canonical SMILES for methyl 4-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]oxybenzoate is COC(=O)c1ccc(OC(C)C(=O)N2CCC(Cc3ccccc3)CC2)cc1.
What is the InChIKey of methyl 4-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]oxybenzoate?
The InChIKey is WGXHBBPKOOIJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO4/c1-17(28-21-10-8-20(9-11-21)23(26)27-2)22(25)24-14-12-19(13-15-24)16-18-6-4-3-5-7-18/h3-11,17,19H,12-16H2,1-2H3.
What are the key properties of methyl 4-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]oxybenzoate?
methyl 4-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]oxybenzoate has a molecular weight of 381.47 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]oxybenzoate is sourced from PubChem (CID 18096879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).