3-fluoro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxybenzamide

C30H30F4N4O3 — CID 24995033

IUPAC3-fluoro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxybenzamide
SMILESO=C(NC1CCN(C(=O)c2ccncc2)CC1)c1ccc(OC2CCN(c3ccc(C(F)(F)F)cc3)CC2)c(F)c1
InChIInChI=1S/C30H30F4N4O3/c31-26-19-21(28(39)36-23-9-15-38(16-10-23)29(40)20-7-13-35-14-8-20)1-6-27(26)41-25-11-17-37(18-12-25)24-4-2-22(3-5-24)30(32,33)34/h1-8,13-14,19,23,25H,9-12,15-18H2,(H,36,39)
InChIKeyUXKNLIVTVSSOTD-UHFFFAOYSA-N
MW570.59 g/mol
LogP5.32
Rot. Bonds6

About 3-fluoro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxybenzamide

3-fluoro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxybenzamide (PubChem CID 24995033) has the molecular formula C30H30F4N4O3 and a molecular weight of 570.59 g/mol. Its IUPAC name is 3-fluoro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound Name3-fluoro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxybenzamide
PubChem CID24995033
Molecular FormulaC30H30F4N4O3
Molecular Weight570.59 g/mol
Exact Mass570.23
IUPAC Name3-fluoro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxybenzamide
SMILESO=C(NC1CCN(C(=O)c2ccncc2)CC1)c1ccc(OC2CCN(c3ccc(C(F)(F)F)cc3)CC2)c(F)c1
InChIInChI=1S/C30H30F4N4O3/c31-26-19-21(28(39)36-23-9-15-38(16-10-23)29(40)20-7-13-35-14-8-20)1-6-27(26)41-25-11-17-37(18-12-25)24-4-2-22(3-5-24)30(32,33)34/h1-8,13-14,19,23,25H,9-12,15-18H2,(H,36,39)
InChIKeyUXKNLIVTVSSOTD-UHFFFAOYSA-N
XLogP5.32
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.59
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxybenzamide?
The IUPAC name of 3-fluoro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxybenzamide (CID 24995033) is 3-fluoro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxybenzamide.
What is the SMILES notation for 3-fluoro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxybenzamide?
The canonical SMILES for 3-fluoro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxybenzamide is O=C(NC1CCN(C(=O)c2ccncc2)CC1)c1ccc(OC2CCN(c3ccc(C(F)(F)F)cc3)CC2)c(F)c1.
What is the InChIKey of 3-fluoro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxybenzamide?
The InChIKey is UXKNLIVTVSSOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F4N4O3/c31-26-19-21(28(39)36-23-9-15-38(16-10-23)29(40)20-7-13-35-14-8-20)1-6-27(26)41-25-11-17-37(18-12-25)24-4-2-22(3-5-24)30(32,33)34/h1-8,13-14,19,23,25H,9-12,15-18H2,(H,36,39).
What are the key properties of 3-fluoro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxybenzamide?
3-fluoro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxybenzamide has a molecular weight of 570.59 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 24995033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).