2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[6-[4-(4-pyrrolidin-1-ylbenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone

C35H33FN4O4 — CID 58073421

IUPAC2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[6-[4-(4-pyrrolidin-1-ylbenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone
SMILESO=C(Cc1ccc(Oc2ccc(F)cc2)nc1)c1ccc(C(=O)N2CCC(C(=O)c3ccc(N4CCCC4)cc3)CC2)nc1
InChIInChI=1S/C35H33FN4O4/c36-28-7-11-30(12-8-28)44-33-14-3-24(22-38-33)21-32(41)27-6-13-31(37-23-27)35(43)40-19-15-26(16-20-40)34(42)25-4-9-29(10-5-25)39-17-1-2-18-39/h3-14,22-23,26H,1-2,15-21H2
InChIKeyYZRJBABKOZVXQV-UHFFFAOYSA-N
MW592.67 g/mol
LogP6.17
Rot. Bonds9

About 2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[6-[4-(4-pyrrolidin-1-ylbenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone

2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[6-[4-(4-pyrrolidin-1-ylbenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone (PubChem CID 58073421) has the molecular formula C35H33FN4O4 and a molecular weight of 592.67 g/mol. Its IUPAC name is 2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[6-[4-(4-pyrrolidin-1-ylbenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[6-[4-(4-pyrrolidin-1-ylbenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone
PubChem CID58073421
Molecular FormulaC35H33FN4O4
Molecular Weight592.67 g/mol
Exact Mass592.25
IUPAC Name2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[6-[4-(4-pyrrolidin-1-ylbenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone
SMILESO=C(Cc1ccc(Oc2ccc(F)cc2)nc1)c1ccc(C(=O)N2CCC(C(=O)c3ccc(N4CCCC4)cc3)CC2)nc1
InChIInChI=1S/C35H33FN4O4/c36-28-7-11-30(12-8-28)44-33-14-3-24(22-38-33)21-32(41)27-6-13-31(37-23-27)35(43)40-19-15-26(16-20-40)34(42)25-4-9-29(10-5-25)39-17-1-2-18-39/h3-14,22-23,26H,1-2,15-21H2
InChIKeyYZRJBABKOZVXQV-UHFFFAOYSA-N
XLogP6.17
TPSA92.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.67
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[6-[4-(4-pyrrolidin-1-ylbenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone with MolForge

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Related Compounds

7-fluoro-3-[4-[4-(6-methoxypyridine-3-carbonyl)piperidin-1-yl]-4-oxobutyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 118507411
6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 10273574
N-(1-(4-fluorobenzyl)piperidin-4-yl)-6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)nicotinamide
CID 66710269
6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)-N-(1-(4-(trifluoromethoxy) benzyl)piperidin-4-yl)nicotinamide
CID 66710324
6-(4-(4-(pyrrolidin-1-yl)benzoyl)piperidine-1-carbonyl)-N-(1-(4-(trifluoromethoxy) benzyl)piperidin-4-yl)nicotinamide
CID 66710384
N-(1-(4-aminobenzyl)piperidin-4-yl)-6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)nicotinamide
CID 66710436
N-(1-(4-acetamidobenzyl) piperidin-4-yl)-6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)nicotinamide
CID 66710516
6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)-N-(1-(4-methoxybenzyl) piperidin-4-yl)nicotinamide
CID 66710519
N-(1-(4-methoxybenzyl) piperidin-4-yl)-6-(4-(4-(pyrrolidin-1-yl)benzoyl)piperidine-1-carbonyl)nicotinamide
CID 66710531
N-(1-(4-cyanobenzyl)piperidin-4-yl)-6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)-N-methylnicotinamide
CID 66710664
2-[4-[4-[(6-Fluoro-3-pyridinyl)methyl]piperazin-1-yl]phenyl]-1,3-benzoxazole
CID 71292341
1-(4-Methoxyphenyl)-3-{4-[4-(pyridin-3-ylcarbonyl)phenyl]piperazin-1-yl}pyrrolidine-2,5-dione
CID 2981926

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[6-[4-(4-pyrrolidin-1-ylbenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone?
The IUPAC name of 2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[6-[4-(4-pyrrolidin-1-ylbenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone (CID 58073421) is 2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[6-[4-(4-pyrrolidin-1-ylbenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone.
What is the SMILES notation for 2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[6-[4-(4-pyrrolidin-1-ylbenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone?
The canonical SMILES for 2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[6-[4-(4-pyrrolidin-1-ylbenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone is O=C(Cc1ccc(Oc2ccc(F)cc2)nc1)c1ccc(C(=O)N2CCC(C(=O)c3ccc(N4CCCC4)cc3)CC2)nc1.
What is the InChIKey of 2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[6-[4-(4-pyrrolidin-1-ylbenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone?
The InChIKey is YZRJBABKOZVXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33FN4O4/c36-28-7-11-30(12-8-28)44-33-14-3-24(22-38-33)21-32(41)27-6-13-31(37-23-27)35(43)40-19-15-26(16-20-40)34(42)25-4-9-29(10-5-25)39-17-1-2-18-39/h3-14,22-23,26H,1-2,15-21H2.
What are the key properties of 2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[6-[4-(4-pyrrolidin-1-ylbenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone?
2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[6-[4-(4-pyrrolidin-1-ylbenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone has a molecular weight of 592.67 g/mol, XLogP of 6.17, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-fluorophenoxy)-3-pyridinyl]-1-[6-[4-(4-pyrrolidin-1-ylbenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone is sourced from PubChem (CID 58073421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).