methyl 4-[[3-(3-methoxybenzoyl)piperidin-1-yl]methyl]benzoate

C22H25NO4 — CID 45242351

IUPACmethyl 4-[[3-(3-methoxybenzoyl)piperidin-1-yl]methyl]benzoate
SMILESCOC(=O)c1ccc(CN2CCCC(C(=O)c3cccc(OC)c3)C2)cc1
InChIInChI=1S/C22H25NO4/c1-26-20-7-3-5-18(13-20)21(24)19-6-4-12-23(15-19)14-16-8-10-17(11-9-16)22(25)27-2/h3,5,7-11,13,19H,4,6,12,14-15H2,1-2H3
InChIKeyMAUZUJXQFZJQSQ-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.58
Rot. Bonds6

About methyl 4-[[3-(3-methoxybenzoyl)piperidin-1-yl]methyl]benzoate

methyl 4-[[3-(3-methoxybenzoyl)piperidin-1-yl]methyl]benzoate (PubChem CID 45242351) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is methyl 4-[[3-(3-methoxybenzoyl)piperidin-1-yl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[3-(3-methoxybenzoyl)piperidin-1-yl]methyl]benzoate
PubChem CID45242351
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Namemethyl 4-[[3-(3-methoxybenzoyl)piperidin-1-yl]methyl]benzoate
SMILESCOC(=O)c1ccc(CN2CCCC(C(=O)c3cccc(OC)c3)C2)cc1
InChIInChI=1S/C22H25NO4/c1-26-20-7-3-5-18(13-20)21(24)19-6-4-12-23(15-19)14-16-8-10-17(11-9-16)22(25)27-2/h3,5,7-11,13,19H,4,6,12,14-15H2,1-2H3
InChIKeyMAUZUJXQFZJQSQ-UHFFFAOYSA-N
XLogP3.58
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(3-methoxyphenyl)methanone
CID 23723344
(3-methoxyphenyl)-[1-(pyridin-4-ylmethyl)piperidin-3-yl]methanone
CID 45218080
[(3S)-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-3-yl]-(3-methoxyphenyl)methanone
CID 42453819
[(3S)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]-(3-methoxyphenyl)methanone
CID 42095187
[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone
CID 42565343
[1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 45244750
(3-methoxyphenyl)-[(3R)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 26393620
(3-chlorophenyl)-[(3S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 42516135
(3-chlorophenyl)-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 42516133
(3-methoxyphenyl)-(1-methylpiperidin-3-yl)methanone
CID 82389965
methyl 4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzoate
CID 782095
(3-chlorophenyl)-[(3R)-1-[(2,4,6-trimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 26324635

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-(3-methoxybenzoyl)piperidin-1-yl]methyl]benzoate?
The IUPAC name of methyl 4-[[3-(3-methoxybenzoyl)piperidin-1-yl]methyl]benzoate (CID 45242351) is methyl 4-[[3-(3-methoxybenzoyl)piperidin-1-yl]methyl]benzoate.
What is the SMILES notation for methyl 4-[[3-(3-methoxybenzoyl)piperidin-1-yl]methyl]benzoate?
The canonical SMILES for methyl 4-[[3-(3-methoxybenzoyl)piperidin-1-yl]methyl]benzoate is COC(=O)c1ccc(CN2CCCC(C(=O)c3cccc(OC)c3)C2)cc1.
What is the InChIKey of methyl 4-[[3-(3-methoxybenzoyl)piperidin-1-yl]methyl]benzoate?
The InChIKey is MAUZUJXQFZJQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-26-20-7-3-5-18(13-20)21(24)19-6-4-12-23(15-19)14-16-8-10-17(11-9-16)22(25)27-2/h3,5,7-11,13,19H,4,6,12,14-15H2,1-2H3.
What are the key properties of methyl 4-[[3-(3-methoxybenzoyl)piperidin-1-yl]methyl]benzoate?
methyl 4-[[3-(3-methoxybenzoyl)piperidin-1-yl]methyl]benzoate has a molecular weight of 367.45 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-(3-methoxybenzoyl)piperidin-1-yl]methyl]benzoate is sourced from PubChem (CID 45242351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).