5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-6-(2-methoxyphenyl)-1-(4-methoxyphenyl)piperidin-2-one

C29H30N2O4 — CID 134016755

IUPAC5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-6-(2-methoxyphenyl)-1-(4-methoxyphenyl)piperidin-2-one
SMILESCOc1ccc(N2C(=O)CCC(C(=O)N3CCc4ccccc4C3)C2c2ccccc2OC)cc1
InChIInChI=1S/C29H30N2O4/c1-34-23-13-11-22(12-14-23)31-27(32)16-15-25(28(31)24-9-5-6-10-26(24)35-2)29(33)30-18-17-20-7-3-4-8-21(20)19-30/h3-14,25,28H,15-19H2,1-2H3
InChIKeyFWFGOTSIZTZBBR-UHFFFAOYSA-N
MW470.57 g/mol
LogP4.77
Rot. Bonds5

About 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-6-(2-methoxyphenyl)-1-(4-methoxyphenyl)piperidin-2-one

5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-6-(2-methoxyphenyl)-1-(4-methoxyphenyl)piperidin-2-one (PubChem CID 134016755) has the molecular formula C29H30N2O4 and a molecular weight of 470.57 g/mol. Its IUPAC name is 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-6-(2-methoxyphenyl)-1-(4-methoxyphenyl)piperidin-2-one.

Molecular Properties

Compound Name5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-6-(2-methoxyphenyl)-1-(4-methoxyphenyl)piperidin-2-one
PubChem CID134016755
Molecular FormulaC29H30N2O4
Molecular Weight470.57 g/mol
Exact Mass470.22
IUPAC Name5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-6-(2-methoxyphenyl)-1-(4-methoxyphenyl)piperidin-2-one
SMILESCOc1ccc(N2C(=O)CCC(C(=O)N3CCc4ccccc4C3)C2c2ccccc2OC)cc1
InChIInChI=1S/C29H30N2O4/c1-34-23-13-11-22(12-14-23)31-27(32)16-15-25(28(31)24-9-5-6-10-26(24)35-2)29(33)30-18-17-20-7-3-4-8-21(20)19-30/h3-14,25,28H,15-19H2,1-2H3
InChIKeyFWFGOTSIZTZBBR-UHFFFAOYSA-N
XLogP4.77
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-6-(2-methoxyphenyl)-1-(4-methoxyphenyl)piperidin-2-one with MolForge

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Related Compounds

(2R,3R)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 7127617
(2-amino-2-oxoethyl) (2S,3S)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 7953421
N,N-diethyl-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 43006134
N-(1-cyclopropylethyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 55385087
(2R,3S)-N-(4-acetamidophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 40863526
(2-chlorophenyl) 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 16548560
(2-oxo-2-piperidin-1-ylethyl) 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 46792674
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
(2R,3R)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-N-(2-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 41250931
(2S,3S)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-N-(2-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 41250930
(5S,6S)-1-butyl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-6-(4-methoxyphenyl)piperidin-2-one
CID 51931364

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-6-(2-methoxyphenyl)-1-(4-methoxyphenyl)piperidin-2-one?
The IUPAC name of 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-6-(2-methoxyphenyl)-1-(4-methoxyphenyl)piperidin-2-one (CID 134016755) is 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-6-(2-methoxyphenyl)-1-(4-methoxyphenyl)piperidin-2-one.
What is the SMILES notation for 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-6-(2-methoxyphenyl)-1-(4-methoxyphenyl)piperidin-2-one?
The canonical SMILES for 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-6-(2-methoxyphenyl)-1-(4-methoxyphenyl)piperidin-2-one is COc1ccc(N2C(=O)CCC(C(=O)N3CCc4ccccc4C3)C2c2ccccc2OC)cc1.
What is the InChIKey of 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-6-(2-methoxyphenyl)-1-(4-methoxyphenyl)piperidin-2-one?
The InChIKey is FWFGOTSIZTZBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O4/c1-34-23-13-11-22(12-14-23)31-27(32)16-15-25(28(31)24-9-5-6-10-26(24)35-2)29(33)30-18-17-20-7-3-4-8-21(20)19-30/h3-14,25,28H,15-19H2,1-2H3.
What are the key properties of 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-6-(2-methoxyphenyl)-1-(4-methoxyphenyl)piperidin-2-one?
5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-6-(2-methoxyphenyl)-1-(4-methoxyphenyl)piperidin-2-one has a molecular weight of 470.57 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-6-(2-methoxyphenyl)-1-(4-methoxyphenyl)piperidin-2-one is sourced from PubChem (CID 134016755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).