2-(3-methylpiperidin-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

C27H30F3N5O2 — CID 46208787

IUPAC2-(3-methylpiperidin-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESCC1CCCN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc(N4CCC(c5ccccc5)CC4)nc3)o2)C1
InChIInChI=1S/C27H30F3N5O2/c1-18-6-5-13-35(17-18)26-33-24(27(28,29)30)23(37-26)25(36)32-21-9-10-22(31-16-21)34-14-11-20(12-15-34)19-7-3-2-4-8-19/h2-4,7-10,16,18,20H,5-6,11-15,17H2,1H3,(H,32,36)
InChIKeyPDMHVOKGQUATPY-UHFFFAOYSA-N
MW513.56 g/mol
LogP5.96
Rot. Bonds5

About 2-(3-methylpiperidin-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

2-(3-methylpiperidin-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 46208787) has the molecular formula C27H30F3N5O2 and a molecular weight of 513.56 g/mol. Its IUPAC name is 2-(3-methylpiperidin-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-(3-methylpiperidin-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
PubChem CID46208787
Molecular FormulaC27H30F3N5O2
Molecular Weight513.56 g/mol
Exact Mass513.24
IUPAC Name2-(3-methylpiperidin-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESCC1CCCN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc(N4CCC(c5ccccc5)CC4)nc3)o2)C1
InChIInChI=1S/C27H30F3N5O2/c1-18-6-5-13-35(17-18)26-33-24(27(28,29)30)23(37-26)25(36)32-21-9-10-22(31-16-21)34-14-11-20(12-15-34)19-7-3-2-4-8-19/h2-4,7-10,16,18,20H,5-6,11-15,17H2,1H3,(H,32,36)
InChIKeyPDMHVOKGQUATPY-UHFFFAOYSA-N
XLogP5.96
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.56
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-phenylpiperidin-1-yl)-N-[6-(3-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 67391215
2-(3,3-dimethylpiperidin-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 67390428
N-[6-[4-(phenylcarbamoyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 67293581
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 67390403
N-[6-[4-[(2R)-2-cyclohexyl-2-hydroxyacetyl]piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 67391114
N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[(3R)-3-phenylpiperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46212164
N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(3-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46212711
2-(diethylamino)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46209010
N-[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 67390657
N-[6-[4-[2-(2-nitrophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 67390715
N-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-2-[3-(3-fluorophenyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 58428844
N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[3-(3-methoxyphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46211945

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperidin-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-(3-methylpiperidin-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (CID 46208787) is 2-(3-methylpiperidin-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-(3-methylpiperidin-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-(3-methylpiperidin-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is CC1CCCN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc(N4CCC(c5ccccc5)CC4)nc3)o2)C1.
What is the InChIKey of 2-(3-methylpiperidin-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The InChIKey is PDMHVOKGQUATPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F3N5O2/c1-18-6-5-13-35(17-18)26-33-24(27(28,29)30)23(37-26)25(36)32-21-9-10-22(31-16-21)34-14-11-20(12-15-34)19-7-3-2-4-8-19/h2-4,7-10,16,18,20H,5-6,11-15,17H2,1H3,(H,32,36).
What are the key properties of 2-(3-methylpiperidin-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
2-(3-methylpiperidin-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 513.56 g/mol, XLogP of 5.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperidin-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 46208787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).