methyl 2,4-dimethoxy-6-[(E)-2-[1-(4-methoxybenzoyl)piperidin-4-yl]ethenyl]benzoate

C25H29NO6 — CID 162354051

IUPACmethyl 2,4-dimethoxy-6-[(E)-2-[1-(4-methoxybenzoyl)piperidin-4-yl]ethenyl]benzoate
SMILESCOC(=O)c1c(/C=C/C2CCN(C(=O)c3ccc(OC)cc3)CC2)cc(OC)cc1OC
InChIInChI=1S/C25H29NO6/c1-29-20-9-7-18(8-10-20)24(27)26-13-11-17(12-14-26)5-6-19-15-21(30-2)16-22(31-3)23(19)25(28)32-4/h5-10,15-17H,11-14H2,1-4H3/b6-5+
InChIKeyCJUHPFVPWPQCQU-AATRIKPKSA-N
MW439.51 g/mol
LogP4.06
Rot. Bonds7

About methyl 2,4-dimethoxy-6-[(E)-2-[1-(4-methoxybenzoyl)piperidin-4-yl]ethenyl]benzoate

methyl 2,4-dimethoxy-6-[(E)-2-[1-(4-methoxybenzoyl)piperidin-4-yl]ethenyl]benzoate (PubChem CID 162354051) has the molecular formula C25H29NO6 and a molecular weight of 439.51 g/mol. Its IUPAC name is methyl 2,4-dimethoxy-6-[(E)-2-[1-(4-methoxybenzoyl)piperidin-4-yl]ethenyl]benzoate.

Molecular Properties

Compound Namemethyl 2,4-dimethoxy-6-[(E)-2-[1-(4-methoxybenzoyl)piperidin-4-yl]ethenyl]benzoate
PubChem CID162354051
Molecular FormulaC25H29NO6
Molecular Weight439.51 g/mol
Exact Mass439.20
IUPAC Namemethyl 2,4-dimethoxy-6-[(E)-2-[1-(4-methoxybenzoyl)piperidin-4-yl]ethenyl]benzoate
SMILESCOC(=O)c1c(/C=C/C2CCN(C(=O)c3ccc(OC)cc3)CC2)cc(OC)cc1OC
InChIInChI=1S/C25H29NO6/c1-29-20-9-7-18(8-10-20)24(27)26-13-11-17(12-14-26)5-6-19-15-21(30-2)16-22(31-3)23(19)25(28)32-4/h5-10,15-17H,11-14H2,1-4H3/b6-5+
InChIKeyCJUHPFVPWPQCQU-AATRIKPKSA-N
XLogP4.06
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2,4-dimethoxy-6-[(E)-2-[1-(4-methoxybenzoyl)piperidin-4-yl]ethenyl]benzoate with MolForge

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Related Compounds

methyl 2-hydroxy-4-methoxy-6-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethenyl]benzoate
CID 175182769
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 126012049
2-methoxy-N-[1-(4-methoxybenzoyl)piperidin-4-yl]acetamide
CID 108557132
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3-methylbutanamide
CID 110820567
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
methyl 2,4-dimethoxy-6-(piperidin-4-ylidenemethyl)benzoate
CID 162354073
methyl 4-[4-(dimethylamino)piperidine-1-carbonyl]benzoate
CID 60579417
1-benzoyl-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126012287
3-chloro-N-[1-(4-methoxybenzoyl)piperidin-4-yl]propanamide
CID 108563487
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-4-methoxybenzamide
CID 108548966

Frequently Asked Questions

What is the IUPAC name of methyl 2,4-dimethoxy-6-[(E)-2-[1-(4-methoxybenzoyl)piperidin-4-yl]ethenyl]benzoate?
The IUPAC name of methyl 2,4-dimethoxy-6-[(E)-2-[1-(4-methoxybenzoyl)piperidin-4-yl]ethenyl]benzoate (CID 162354051) is methyl 2,4-dimethoxy-6-[(E)-2-[1-(4-methoxybenzoyl)piperidin-4-yl]ethenyl]benzoate.
What is the SMILES notation for methyl 2,4-dimethoxy-6-[(E)-2-[1-(4-methoxybenzoyl)piperidin-4-yl]ethenyl]benzoate?
The canonical SMILES for methyl 2,4-dimethoxy-6-[(E)-2-[1-(4-methoxybenzoyl)piperidin-4-yl]ethenyl]benzoate is COC(=O)c1c(/C=C/C2CCN(C(=O)c3ccc(OC)cc3)CC2)cc(OC)cc1OC.
What is the InChIKey of methyl 2,4-dimethoxy-6-[(E)-2-[1-(4-methoxybenzoyl)piperidin-4-yl]ethenyl]benzoate?
The InChIKey is CJUHPFVPWPQCQU-AATRIKPKSA-N. The full InChI is InChI=1S/C25H29NO6/c1-29-20-9-7-18(8-10-20)24(27)26-13-11-17(12-14-26)5-6-19-15-21(30-2)16-22(31-3)23(19)25(28)32-4/h5-10,15-17H,11-14H2,1-4H3/b6-5+.
What are the key properties of methyl 2,4-dimethoxy-6-[(E)-2-[1-(4-methoxybenzoyl)piperidin-4-yl]ethenyl]benzoate?
methyl 2,4-dimethoxy-6-[(E)-2-[1-(4-methoxybenzoyl)piperidin-4-yl]ethenyl]benzoate has a molecular weight of 439.51 g/mol, XLogP of 4.06, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-dimethoxy-6-[(E)-2-[1-(4-methoxybenzoyl)piperidin-4-yl]ethenyl]benzoate is sourced from PubChem (CID 162354051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).