2-[4-(3,5-difluorophenoxy)cyclohexyl]-1-[5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-2-pyridinyl]ethanone

C33H34F2N2O5 — CID 58073553

IUPAC2-[4-(3,5-difluorophenoxy)cyclohexyl]-1-[5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-2-pyridinyl]ethanone
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)CC4CCC(Oc5cc(F)cc(F)c5)CC4)nc3)CC2)cc1
InChIInChI=1S/C33H34F2N2O5/c1-41-27-9-4-22(5-10-27)32(39)23-12-14-37(15-13-23)33(40)24-6-11-30(36-20-24)31(38)16-21-2-7-28(8-3-21)42-29-18-25(34)17-26(35)19-29/h4-6,9-11,17-21,23,28H,2-3,7-8,12-16H2,1H3
InChIKeyJKKHBUXHSDPNEF-UHFFFAOYSA-N
MW576.64 g/mol
LogP6.31
Rot. Bonds9

About 2-[4-(3,5-difluorophenoxy)cyclohexyl]-1-[5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-2-pyridinyl]ethanone

2-[4-(3,5-difluorophenoxy)cyclohexyl]-1-[5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-2-pyridinyl]ethanone (PubChem CID 58073553) has the molecular formula C33H34F2N2O5 and a molecular weight of 576.64 g/mol. Its IUPAC name is 2-[4-(3,5-difluorophenoxy)cyclohexyl]-1-[5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name2-[4-(3,5-difluorophenoxy)cyclohexyl]-1-[5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-2-pyridinyl]ethanone
PubChem CID58073553
Molecular FormulaC33H34F2N2O5
Molecular Weight576.64 g/mol
Exact Mass576.24
IUPAC Name2-[4-(3,5-difluorophenoxy)cyclohexyl]-1-[5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-2-pyridinyl]ethanone
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)CC4CCC(Oc5cc(F)cc(F)c5)CC4)nc3)CC2)cc1
InChIInChI=1S/C33H34F2N2O5/c1-41-27-9-4-22(5-10-27)32(39)23-12-14-37(15-13-23)33(40)24-6-11-30(36-20-24)31(38)16-21-2-7-28(8-3-21)42-29-18-25(34)17-26(35)19-29/h4-6,9-11,17-21,23,28H,2-3,7-8,12-16H2,1H3
InChIKeyJKKHBUXHSDPNEF-UHFFFAOYSA-N
XLogP6.31
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.64
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-(3,5-difluorophenoxy)cyclohexyl]-1-[5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-2-pyridinyl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1-[6-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone
CID 58073222
(4-methoxyphenyl)-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]methanone
CID 24688123
(4-methoxyphenyl)-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]methanone
CID 25475529
1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethanone
CID 58073229
N-[4-(4-methoxyphenoxy)cyclohexyl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide
CID 66710576
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide
CID 66710706
2-[(3S)-3-fluoropiperidin-4-yl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone
CID 58073200
N-[4-(4-cyano-3-fluorophenoxy)cyclohexyl]-5-[4-(4-methylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide
CID 58073163
2-[6-(4-fluorophenyl)sulfonyl-3-pyridinyl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone
CID 58073326
[4-(4-fluorophenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396932
4-[[4-[2-[5-[(3R)-3-(4-fluorophenoxy)pyrrolidine-1-carbonyl]-2-pyridinyl]-2-oxoethyl]piperidin-1-yl]methyl]benzonitrile
CID 58073589
tert-butyl (3S)-3-fluoro-4-[2-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]piperidine-1-carboxylate
CID 58073237

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-difluorophenoxy)cyclohexyl]-1-[5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-2-pyridinyl]ethanone?
The IUPAC name of 2-[4-(3,5-difluorophenoxy)cyclohexyl]-1-[5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-2-pyridinyl]ethanone (CID 58073553) is 2-[4-(3,5-difluorophenoxy)cyclohexyl]-1-[5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-2-pyridinyl]ethanone.
What is the SMILES notation for 2-[4-(3,5-difluorophenoxy)cyclohexyl]-1-[5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-2-pyridinyl]ethanone?
The canonical SMILES for 2-[4-(3,5-difluorophenoxy)cyclohexyl]-1-[5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-2-pyridinyl]ethanone is COc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)CC4CCC(Oc5cc(F)cc(F)c5)CC4)nc3)CC2)cc1.
What is the InChIKey of 2-[4-(3,5-difluorophenoxy)cyclohexyl]-1-[5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-2-pyridinyl]ethanone?
The InChIKey is JKKHBUXHSDPNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34F2N2O5/c1-41-27-9-4-22(5-10-27)32(39)23-12-14-37(15-13-23)33(40)24-6-11-30(36-20-24)31(38)16-21-2-7-28(8-3-21)42-29-18-25(34)17-26(35)19-29/h4-6,9-11,17-21,23,28H,2-3,7-8,12-16H2,1H3.
What are the key properties of 2-[4-(3,5-difluorophenoxy)cyclohexyl]-1-[5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-2-pyridinyl]ethanone?
2-[4-(3,5-difluorophenoxy)cyclohexyl]-1-[5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-2-pyridinyl]ethanone has a molecular weight of 576.64 g/mol, XLogP of 6.31, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-difluorophenoxy)cyclohexyl]-1-[5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-2-pyridinyl]ethanone is sourced from PubChem (CID 58073553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).