5-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-N-[4-[4-(trifluoromethyl)phenoxy]cyclohexyl]pyridine-2-carboxamide

C33H34F3N3O4 — CID 58073572

IUPAC5-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-N-[4-[4-(trifluoromethyl)phenoxy]cyclohexyl]pyridine-2-carboxamide
SMILESCc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)NC4CCC(Oc5ccc(C(F)(F)F)cc5)CC4)nc3)CC2)cc1
InChIInChI=1S/C33H34F3N3O4/c1-21-2-4-22(5-3-21)30(40)23-16-18-39(19-17-23)32(42)24-6-15-29(37-20-24)31(41)38-26-9-13-28(14-10-26)43-27-11-7-25(8-12-27)33(34,35)36/h2-8,11-12,15,20,23,26,28H,9-10,13-14,16-19H2,1H3,(H,38,41)
InChIKeyNOMPDHUXPFCKBB-UHFFFAOYSA-N
MW593.65 g/mol
LogP6.26
Rot. Bonds7

About 5-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-N-[4-[4-(trifluoromethyl)phenoxy]cyclohexyl]pyridine-2-carboxamide

5-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-N-[4-[4-(trifluoromethyl)phenoxy]cyclohexyl]pyridine-2-carboxamide (PubChem CID 58073572) has the molecular formula C33H34F3N3O4 and a molecular weight of 593.65 g/mol. Its IUPAC name is 5-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-N-[4-[4-(trifluoromethyl)phenoxy]cyclohexyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-N-[4-[4-(trifluoromethyl)phenoxy]cyclohexyl]pyridine-2-carboxamide
PubChem CID58073572
Molecular FormulaC33H34F3N3O4
Molecular Weight593.65 g/mol
Exact Mass593.25
IUPAC Name5-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-N-[4-[4-(trifluoromethyl)phenoxy]cyclohexyl]pyridine-2-carboxamide
SMILESCc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)NC4CCC(Oc5ccc(C(F)(F)F)cc5)CC4)nc3)CC2)cc1
InChIInChI=1S/C33H34F3N3O4/c1-21-2-4-22(5-3-21)30(40)23-16-18-39(19-17-23)32(42)24-6-15-29(37-20-24)31(41)38-26-9-13-28(14-10-26)43-27-11-7-25(8-12-27)33(34,35)36/h2-8,11-12,15,20,23,26,28H,9-10,13-14,16-19H2,1H3,(H,38,41)
InChIKeyNOMPDHUXPFCKBB-UHFFFAOYSA-N
XLogP6.26
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.65
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-N-[4-[4-(trifluoromethyl)phenoxy]cyclohexyl]pyridine-2-carboxamide?
The IUPAC name of 5-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-N-[4-[4-(trifluoromethyl)phenoxy]cyclohexyl]pyridine-2-carboxamide (CID 58073572) is 5-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-N-[4-[4-(trifluoromethyl)phenoxy]cyclohexyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-N-[4-[4-(trifluoromethyl)phenoxy]cyclohexyl]pyridine-2-carboxamide?
The canonical SMILES for 5-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-N-[4-[4-(trifluoromethyl)phenoxy]cyclohexyl]pyridine-2-carboxamide is Cc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)NC4CCC(Oc5ccc(C(F)(F)F)cc5)CC4)nc3)CC2)cc1.
What is the InChIKey of 5-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-N-[4-[4-(trifluoromethyl)phenoxy]cyclohexyl]pyridine-2-carboxamide?
The InChIKey is NOMPDHUXPFCKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34F3N3O4/c1-21-2-4-22(5-3-21)30(40)23-16-18-39(19-17-23)32(42)24-6-15-29(37-20-24)31(41)38-26-9-13-28(14-10-26)43-27-11-7-25(8-12-27)33(34,35)36/h2-8,11-12,15,20,23,26,28H,9-10,13-14,16-19H2,1H3,(H,38,41).
What are the key properties of 5-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-N-[4-[4-(trifluoromethyl)phenoxy]cyclohexyl]pyridine-2-carboxamide?
5-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-N-[4-[4-(trifluoromethyl)phenoxy]cyclohexyl]pyridine-2-carboxamide has a molecular weight of 593.65 g/mol, XLogP of 6.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-N-[4-[4-(trifluoromethyl)phenoxy]cyclohexyl]pyridine-2-carboxamide is sourced from PubChem (CID 58073572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).