(5S,6R)-6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)piperidin-2-one

C27H34N2O5 — CID 25476275

IUPAC(5S,6R)-6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)piperidin-2-one
SMILESCOc1ccc(N2C(=O)CC[C@H](C(=O)N3CCC(C)CC3)C2c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C27H34N2O5/c1-18-13-15-28(16-14-18)27(31)22-10-12-25(30)29(20-6-8-21(32-2)9-7-20)26(22)19-5-11-23(33-3)24(17-19)34-4/h5-9,11,17-18,22,26H,10,12-16H2,1-4H3/t22-,26?/m0/s1
InChIKeyXVRLSOVTIBFCIB-CHQVSRGASA-N
MW466.58 g/mol
LogP4.46
Rot. Bonds6

About (5S,6R)-6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)piperidin-2-one

(5S,6R)-6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)piperidin-2-one (PubChem CID 25476275) has the molecular formula C27H34N2O5 and a molecular weight of 466.58 g/mol. Its IUPAC name is (5S,6R)-6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name(5S,6R)-6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)piperidin-2-one
PubChem CID25476275
Molecular FormulaC27H34N2O5
Molecular Weight466.58 g/mol
Exact Mass466.25
IUPAC Name(5S,6R)-6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)piperidin-2-one
SMILESCOc1ccc(N2C(=O)CC[C@H](C(=O)N3CCC(C)CC3)C2c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C27H34N2O5/c1-18-13-15-28(16-14-18)27(31)22-10-12-25(30)29(20-6-8-21(32-2)9-7-20)26(22)19-5-11-23(33-3)24(17-19)34-4/h5-9,11,17-18,22,26H,10,12-16H2,1-4H3/t22-,26?/m0/s1
InChIKeyXVRLSOVTIBFCIB-CHQVSRGASA-N
XLogP4.46
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S,6R)-6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)piperidin-2-one?
The IUPAC name of (5S,6R)-6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)piperidin-2-one (CID 25476275) is (5S,6R)-6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)piperidin-2-one.
What is the SMILES notation for (5S,6R)-6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)piperidin-2-one?
The canonical SMILES for (5S,6R)-6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)piperidin-2-one is COc1ccc(N2C(=O)CC[C@H](C(=O)N3CCC(C)CC3)C2c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of (5S,6R)-6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)piperidin-2-one?
The InChIKey is XVRLSOVTIBFCIB-CHQVSRGASA-N. The full InChI is InChI=1S/C27H34N2O5/c1-18-13-15-28(16-14-18)27(31)22-10-12-25(30)29(20-6-8-21(32-2)9-7-20)26(22)19-5-11-23(33-3)24(17-19)34-4/h5-9,11,17-18,22,26H,10,12-16H2,1-4H3/t22-,26?/m0/s1.
What are the key properties of (5S,6R)-6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)piperidin-2-one?
(5S,6R)-6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)piperidin-2-one has a molecular weight of 466.58 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)piperidin-2-one is sourced from PubChem (CID 25476275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).