4-[[5-[2-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]oxy]benzonitrile

C33H28N4O5 — CID 58073183

IUPAC4-[[5-[2-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]oxy]benzonitrile
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)Cc4ccc(Oc5ccc(C#N)cc5)nc4)cn3)CC2)cc1
InChIInChI=1S/C33H28N4O5/c1-41-27-10-5-24(6-11-27)32(39)25-14-16-37(17-15-25)33(40)29-12-7-26(21-35-29)30(38)18-23-4-13-31(36-20-23)42-28-8-2-22(19-34)3-9-28/h2-13,20-21,25H,14-18H2,1H3
InChIKeyFMOQAPKQMWYMMQ-UHFFFAOYSA-N
MW560.61 g/mol
LogP5.31
Rot. Bonds9

About 4-[[5-[2-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]oxy]benzonitrile

4-[[5-[2-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]oxy]benzonitrile (PubChem CID 58073183) has the molecular formula C33H28N4O5 and a molecular weight of 560.61 g/mol. Its IUPAC name is 4-[[5-[2-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]oxy]benzonitrile.

Molecular Properties

Compound Name4-[[5-[2-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]oxy]benzonitrile
PubChem CID58073183
Molecular FormulaC33H28N4O5
Molecular Weight560.61 g/mol
Exact Mass560.21
IUPAC Name4-[[5-[2-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]oxy]benzonitrile
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)Cc4ccc(Oc5ccc(C#N)cc5)nc4)cn3)CC2)cc1
InChIInChI=1S/C33H28N4O5/c1-41-27-10-5-24(6-11-27)32(39)25-14-16-37(17-15-25)33(40)29-12-7-26(21-35-29)30(38)18-23-4-13-31(36-20-23)42-28-8-2-22(19-34)3-9-28/h2-13,20-21,25H,14-18H2,1H3
InChIKeyFMOQAPKQMWYMMQ-UHFFFAOYSA-N
XLogP5.31
TPSA122.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.61
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[[5-[2-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]oxy]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[6-methyl-5-[2-[6-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]oxy]benzonitrile
CID 58073297
2-[6-(4-fluorophenyl)sulfonyl-3-pyridinyl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone
CID 58073326
N-[6-(4-fluorophenoxy)-3-pyridinyl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
CID 66710529
(4-methoxyphenyl)-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]methanone
CID 25475529
N-[(3R,4R)-4-[(4-cyanophenyl)methyl]-3-fluoropiperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
CID 66713813
N-[4-(4-cyanophenoxy)hexyl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
CID 123791285
3-[[(3R)-3-fluoro-4-[2-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]piperidin-1-yl]methyl]benzonitrile
CID 158124699
2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1-[6-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone
CID 58073222
2-[(3S)-3-fluoropiperidin-4-yl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone
CID 58073200
1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethanone
CID 58073229
N-[6-(4-cyanophenoxy)-2-methyl-3-pyridinyl]-6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
CID 66710669
6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 66710665

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[2-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]oxy]benzonitrile?
The IUPAC name of 4-[[5-[2-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]oxy]benzonitrile (CID 58073183) is 4-[[5-[2-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]oxy]benzonitrile.
What is the SMILES notation for 4-[[5-[2-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]oxy]benzonitrile?
The canonical SMILES for 4-[[5-[2-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]oxy]benzonitrile is COc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)Cc4ccc(Oc5ccc(C#N)cc5)nc4)cn3)CC2)cc1.
What is the InChIKey of 4-[[5-[2-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]oxy]benzonitrile?
The InChIKey is FMOQAPKQMWYMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28N4O5/c1-41-27-10-5-24(6-11-27)32(39)25-14-16-37(17-15-25)33(40)29-12-7-26(21-35-29)30(38)18-23-4-13-31(36-20-23)42-28-8-2-22(19-34)3-9-28/h2-13,20-21,25H,14-18H2,1H3.
What are the key properties of 4-[[5-[2-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]oxy]benzonitrile?
4-[[5-[2-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]oxy]benzonitrile has a molecular weight of 560.61 g/mol, XLogP of 5.31, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[2-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]oxy]benzonitrile is sourced from PubChem (CID 58073183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).