(2,4-dibromophenyl)methyl 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate

C27H25Br2NO5 — CID 166353255

IUPAC(2,4-dibromophenyl)methyl 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
SMILESCOc1ccc(N2C(=O)CCC(C(=O)OCc3ccc(Br)cc3Br)C2c2ccccc2OC)cc1
InChIInChI=1S/C27H25Br2NO5/c1-33-20-11-9-19(10-12-20)30-25(31)14-13-22(26(30)21-5-3-4-6-24(21)34-2)27(32)35-16-17-7-8-18(28)15-23(17)29/h3-12,15,22,26H,13-14,16H2,1-2H3
InChIKeyRUJWWVYUQVWIDN-UHFFFAOYSA-N
MW603.31 g/mol
LogP6.46
Rot. Bonds7

About (2,4-dibromophenyl)methyl 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate

(2,4-dibromophenyl)methyl 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate (PubChem CID 166353255) has the molecular formula C27H25Br2NO5 and a molecular weight of 603.31 g/mol. Its IUPAC name is (2,4-dibromophenyl)methyl 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate.

Molecular Properties

Compound Name(2,4-dibromophenyl)methyl 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
PubChem CID166353255
Molecular FormulaC27H25Br2NO5
Molecular Weight603.31 g/mol
Exact Mass601.01
IUPAC Name(2,4-dibromophenyl)methyl 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
SMILESCOc1ccc(N2C(=O)CCC(C(=O)OCc3ccc(Br)cc3Br)C2c2ccccc2OC)cc1
InChIInChI=1S/C27H25Br2NO5/c1-33-20-11-9-19(10-12-20)30-25(31)14-13-22(26(30)21-5-3-4-6-24(21)34-2)27(32)35-16-17-7-8-18(28)15-23(17)29/h3-12,15,22,26H,13-14,16H2,1-2H3
InChIKeyRUJWWVYUQVWIDN-UHFFFAOYSA-N
XLogP6.46
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.31
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-amino-2-oxoethyl) (2S,3S)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 7953421
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 46792691
(2R,3R)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 7127617
(2-oxo-2-piperidin-1-ylethyl) 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 46792674
(2-chlorophenyl) 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 16548560
N,N-diethyl-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 43006134
(2S,3S)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-N-(2-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 41250930
(2R,3R)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-N-(2-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 41250931
(2R,3S)-N-(4-acetamidophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 40863526
N-cyclopentyl-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-N-methyl-6-oxopiperidine-3-carboxamide
CID 112802703
N-(4-acetylphenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 42999456
N-(1-cyclopropylethyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 55385087

Frequently Asked Questions

What is the IUPAC name of (2,4-dibromophenyl)methyl 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate?
The IUPAC name of (2,4-dibromophenyl)methyl 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate (CID 166353255) is (2,4-dibromophenyl)methyl 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate.
What is the SMILES notation for (2,4-dibromophenyl)methyl 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate?
The canonical SMILES for (2,4-dibromophenyl)methyl 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate is COc1ccc(N2C(=O)CCC(C(=O)OCc3ccc(Br)cc3Br)C2c2ccccc2OC)cc1.
What is the InChIKey of (2,4-dibromophenyl)methyl 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate?
The InChIKey is RUJWWVYUQVWIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25Br2NO5/c1-33-20-11-9-19(10-12-20)30-25(31)14-13-22(26(30)21-5-3-4-6-24(21)34-2)27(32)35-16-17-7-8-18(28)15-23(17)29/h3-12,15,22,26H,13-14,16H2,1-2H3.
What are the key properties of (2,4-dibromophenyl)methyl 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate?
(2,4-dibromophenyl)methyl 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate has a molecular weight of 603.31 g/mol, XLogP of 6.46, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dibromophenyl)methyl 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate is sourced from PubChem (CID 166353255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).