N-[3-(4-carbamoylphenoxy)-5-(4-fluorophenoxy)phenyl]-4-cycloheptyl-4-hydroxypiperidine-1-carboxamide

C32H36FN3O5 — CID 90308950

IUPACN-[3-(4-carbamoylphenoxy)-5-(4-fluorophenoxy)phenyl]-4-cycloheptyl-4-hydroxypiperidine-1-carboxamide
SMILESNC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(C4CCCCCC4)CC3)cc(Oc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C32H36FN3O5/c33-24-9-13-27(14-10-24)41-29-20-25(19-28(21-29)40-26-11-7-22(8-12-26)30(34)37)35-31(38)36-17-15-32(39,16-18-36)23-5-3-1-2-4-6-23/h7-14,19-21,23,39H,1-6,15-18H2,(H2,34,37)(H,35,38)
InChIKeyMJJFYRFHYBOWHX-UHFFFAOYSA-N
MW561.65 g/mol
LogP6.84
Rot. Bonds7

About N-[3-(4-carbamoylphenoxy)-5-(4-fluorophenoxy)phenyl]-4-cycloheptyl-4-hydroxypiperidine-1-carboxamide

N-[3-(4-carbamoylphenoxy)-5-(4-fluorophenoxy)phenyl]-4-cycloheptyl-4-hydroxypiperidine-1-carboxamide (PubChem CID 90308950) has the molecular formula C32H36FN3O5 and a molecular weight of 561.65 g/mol. Its IUPAC name is N-[3-(4-carbamoylphenoxy)-5-(4-fluorophenoxy)phenyl]-4-cycloheptyl-4-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(4-carbamoylphenoxy)-5-(4-fluorophenoxy)phenyl]-4-cycloheptyl-4-hydroxypiperidine-1-carboxamide
PubChem CID90308950
Molecular FormulaC32H36FN3O5
Molecular Weight561.65 g/mol
Exact Mass561.26
IUPAC NameN-[3-(4-carbamoylphenoxy)-5-(4-fluorophenoxy)phenyl]-4-cycloheptyl-4-hydroxypiperidine-1-carboxamide
SMILESNC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(C4CCCCCC4)CC3)cc(Oc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C32H36FN3O5/c33-24-9-13-27(14-10-24)41-29-20-25(19-28(21-29)40-26-11-7-22(8-12-26)30(34)37)35-31(38)36-17-15-32(39,16-18-36)23-5-3-1-2-4-6-23/h7-14,19-21,23,39H,1-6,15-18H2,(H2,34,37)(H,35,38)
InChIKeyMJJFYRFHYBOWHX-UHFFFAOYSA-N
XLogP6.84
TPSA114.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.65
LogP ≤ 56.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[3-[(3-cyclohexyl-3-hydroxypyrrolidine-1-carbonyl)amino]-5-(4-fluorophenoxy)phenoxy]phenoxy]cyclopropane-1-carboxylic acid
CID 90309053
4-cyclohexyl-4-hydroxy-N-(3-phenoxyphenyl)piperidine-1-carboxamide
CID 23071773
4-cyclopentyl-4-hydroxy-N-(4-phenoxyphenyl)piperidine-1-carboxamide
CID 23071843
(4aS,8aS)-N-[3-(4-fluorophenoxy)-5-(4-methylsulfonylcyclohexyl)oxyphenyl]-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinoline-2-carboxamide
CID 155322982
4-cyclopropyl-4-hydroxy-N-(3-phenoxyphenyl)piperidine-1-carboxamide
CID 23071756
4-cyclopentyl-4-hydroxy-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 23071820
4-cyclopentyl-N-(3,5-dichlorophenyl)-4-hydroxypiperidine-1-carboxamide
CID 23072018
N-[3-(4-fluorophenoxy)-5-(4-methylsulfonylphenoxy)phenyl]-4-(4-fluorophenyl)-4-hydroxypiperidine-1-carboxamide
CID 90309054
methyl 3-(4-fluorophenoxy)-5-[[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]amino]benzoate
CID 90309253
4-(4-bromophenyl)-N-[3-(4-fluorophenoxy)-5-(4-sulfamoylphenoxy)phenyl]-4-hydroxypiperidine-1-carboxamide
CID 90309190
N-[3-(4-fluorophenoxy)-5-(trifluoromethyl)phenyl]-4-hydroxy-4-(2-methylpropyl)piperidine-1-carboxamide
CID 155322993
4-(4-fluorophenoxy)benzamide
CID 22142233

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-carbamoylphenoxy)-5-(4-fluorophenoxy)phenyl]-4-cycloheptyl-4-hydroxypiperidine-1-carboxamide?
The IUPAC name of N-[3-(4-carbamoylphenoxy)-5-(4-fluorophenoxy)phenyl]-4-cycloheptyl-4-hydroxypiperidine-1-carboxamide (CID 90308950) is N-[3-(4-carbamoylphenoxy)-5-(4-fluorophenoxy)phenyl]-4-cycloheptyl-4-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for N-[3-(4-carbamoylphenoxy)-5-(4-fluorophenoxy)phenyl]-4-cycloheptyl-4-hydroxypiperidine-1-carboxamide?
The canonical SMILES for N-[3-(4-carbamoylphenoxy)-5-(4-fluorophenoxy)phenyl]-4-cycloheptyl-4-hydroxypiperidine-1-carboxamide is NC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(C4CCCCCC4)CC3)cc(Oc3ccc(F)cc3)c2)cc1.
What is the InChIKey of N-[3-(4-carbamoylphenoxy)-5-(4-fluorophenoxy)phenyl]-4-cycloheptyl-4-hydroxypiperidine-1-carboxamide?
The InChIKey is MJJFYRFHYBOWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36FN3O5/c33-24-9-13-27(14-10-24)41-29-20-25(19-28(21-29)40-26-11-7-22(8-12-26)30(34)37)35-31(38)36-17-15-32(39,16-18-36)23-5-3-1-2-4-6-23/h7-14,19-21,23,39H,1-6,15-18H2,(H2,34,37)(H,35,38).
What are the key properties of N-[3-(4-carbamoylphenoxy)-5-(4-fluorophenoxy)phenyl]-4-cycloheptyl-4-hydroxypiperidine-1-carboxamide?
N-[3-(4-carbamoylphenoxy)-5-(4-fluorophenoxy)phenyl]-4-cycloheptyl-4-hydroxypiperidine-1-carboxamide has a molecular weight of 561.65 g/mol, XLogP of 6.84, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-carbamoylphenoxy)-5-(4-fluorophenoxy)phenyl]-4-cycloheptyl-4-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 90308950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).