2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide

C27H35N3O6 — CID 3238477

IUPAC2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc(N2C(=O)CCC(C(=O)NCCN3CCOCC3)C2c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C27H35N3O6/c1-33-21-7-5-20(6-8-21)30-25(31)11-9-22(27(32)28-12-13-29-14-16-36-17-15-29)26(30)19-4-10-23(34-2)24(18-19)35-3/h4-8,10,18,22,26H,9,11-17H2,1-3H3,(H,28,32)
InChIKeyUOUXYBGEACAVNO-UHFFFAOYSA-N
MW497.59 g/mol
LogP2.65
Rot. Bonds9

About 2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide

2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide (PubChem CID 3238477) has the molecular formula C27H35N3O6 and a molecular weight of 497.59 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide
PubChem CID3238477
Molecular FormulaC27H35N3O6
Molecular Weight497.59 g/mol
Exact Mass497.25
IUPAC Name2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc(N2C(=O)CCC(C(=O)NCCN3CCOCC3)C2c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C27H35N3O6/c1-33-21-7-5-20(6-8-21)30-25(31)11-9-22(27(32)28-12-13-29-14-16-36-17-15-29)26(30)19-4-10-23(34-2)24(18-19)35-3/h4-8,10,18,22,26H,9,11-17H2,1-3H3,(H,28,32)
InChIKeyUOUXYBGEACAVNO-UHFFFAOYSA-N
XLogP2.65
TPSA89.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.59
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide (CID 3238477) is 2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide is COc1ccc(N2C(=O)CCC(C(=O)NCCN3CCOCC3)C2c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is UOUXYBGEACAVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O6/c1-33-21-7-5-20(6-8-21)30-25(31)11-9-22(27(32)28-12-13-29-14-16-36-17-15-29)26(30)19-4-10-23(34-2)24(18-19)35-3/h4-8,10,18,22,26H,9,11-17H2,1-3H3,(H,28,32).
What are the key properties of 2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide?
2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 497.59 g/mol, XLogP of 2.65, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 3238477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).