methyl 2-hydroxy-4-methoxy-6-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethenyl]benzoate

C24H27NO5 — CID 175182769

IUPACmethyl 2-hydroxy-4-methoxy-6-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethenyl]benzoate
SMILESCOC(=O)c1c(O)cc(OC)cc1C=CC1CCN(C(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C24H27NO5/c1-16-4-7-18(8-5-16)23(27)25-12-10-17(11-13-25)6-9-19-14-20(29-2)15-21(26)22(19)24(28)30-3/h4-9,14-15,17,26H,10-13H2,1-3H3
InChIKeyWLQPKSGZTANHCU-UHFFFAOYSA-N
MW409.48 g/mol
LogP4.06
Rot. Bonds5

About methyl 2-hydroxy-4-methoxy-6-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethenyl]benzoate

methyl 2-hydroxy-4-methoxy-6-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethenyl]benzoate (PubChem CID 175182769) has the molecular formula C24H27NO5 and a molecular weight of 409.48 g/mol. Its IUPAC name is methyl 2-hydroxy-4-methoxy-6-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethenyl]benzoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-4-methoxy-6-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethenyl]benzoate
PubChem CID175182769
Molecular FormulaC24H27NO5
Molecular Weight409.48 g/mol
Exact Mass409.19
IUPAC Namemethyl 2-hydroxy-4-methoxy-6-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethenyl]benzoate
SMILESCOC(=O)c1c(O)cc(OC)cc1C=CC1CCN(C(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C24H27NO5/c1-16-4-7-18(8-5-16)23(27)25-12-10-17(11-13-25)6-9-19-14-20(29-2)15-21(26)22(19)24(28)30-3/h4-9,14-15,17,26H,10-13H2,1-3H3
InChIKeyWLQPKSGZTANHCU-UHFFFAOYSA-N
XLogP4.06
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-hydroxy-4-methoxy-6-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethenyl]benzoate with MolForge

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Related Compounds

methyl 2,4-dimethoxy-6-[(E)-2-[1-(4-methoxybenzoyl)piperidin-4-yl]ethenyl]benzoate
CID 162354051
3-methoxy-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide
CID 108550302
3,5-dimethoxy-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzamide
CID 46378959
2-[2-(1-benzoylpiperidin-4-yl)ethyl]-6-hydroxy-4-methoxybenzoic acid
CID 162354075
3,4,5-trihydroxy-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide
CID 108551461
2-acetamido-3-(3,5-dimethoxyphenyl)-N-[1-(4-methylbenzoyl)piperidin-4-yl]propanamide
CID 3227076
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102
methyl 4-[4-(dimethylamino)piperidine-1-carbonyl]benzoate
CID 60579417
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-4-methoxybenzamide
CID 108548966
N-[2-(cyclopropylamino)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-4-methoxybenzamide
CID 42840312
2-methoxy-N-[1-(4-methoxybenzoyl)piperidin-4-yl]acetamide
CID 108557132
N-[(1S)-2-(diethylamino)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide
CID 93198081

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-4-methoxy-6-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethenyl]benzoate?
The IUPAC name of methyl 2-hydroxy-4-methoxy-6-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethenyl]benzoate (CID 175182769) is methyl 2-hydroxy-4-methoxy-6-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethenyl]benzoate.
What is the SMILES notation for methyl 2-hydroxy-4-methoxy-6-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethenyl]benzoate?
The canonical SMILES for methyl 2-hydroxy-4-methoxy-6-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethenyl]benzoate is COC(=O)c1c(O)cc(OC)cc1C=CC1CCN(C(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of methyl 2-hydroxy-4-methoxy-6-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethenyl]benzoate?
The InChIKey is WLQPKSGZTANHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO5/c1-16-4-7-18(8-5-16)23(27)25-12-10-17(11-13-25)6-9-19-14-20(29-2)15-21(26)22(19)24(28)30-3/h4-9,14-15,17,26H,10-13H2,1-3H3.
What are the key properties of methyl 2-hydroxy-4-methoxy-6-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethenyl]benzoate?
methyl 2-hydroxy-4-methoxy-6-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethenyl]benzoate has a molecular weight of 409.48 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-4-methoxy-6-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethenyl]benzoate is sourced from PubChem (CID 175182769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).