2-(3-methylpiperidin-1-yl)-N-[6-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

C28H30F3N7O3 — CID 46209125

IUPAC2-(3-methylpiperidin-1-yl)-N-[6-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESCC1CCCN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc(N4CCC(n5c(=O)[nH]c6ccccc65)CC4)nc3)o2)C1
InChIInChI=1S/C28H30F3N7O3/c1-17-5-4-12-37(16-17)27-35-24(28(29,30)31)23(41-27)25(39)33-18-8-9-22(32-15-18)36-13-10-19(11-14-36)38-21-7-3-2-6-20(21)34-26(38)40/h2-3,6-9,15,17,19H,4-5,10-14,16H2,1H3,(H,33,39)(H,34,40)
InChIKeySVOABSCKCFCUFB-UHFFFAOYSA-N
MW569.59 g/mol
LogP5.06
Rot. Bonds5

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

2-(3-methylpiperidin-1-yl)-N-[6-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 46209125) has the molecular formula C28H30F3N7O3 and a molecular weight of 569.59 g/mol. Its IUPAC name is 2-(3-methylpiperidin-1-yl)-N-[6-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-(3-methylpiperidin-1-yl)-N-[6-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
PubChem CID46209125
Molecular FormulaC28H30F3N7O3
Molecular Weight569.59 g/mol
Exact Mass569.24
IUPAC Name2-(3-methylpiperidin-1-yl)-N-[6-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESCC1CCCN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc(N4CCC(n5c(=O)[nH]c6ccccc65)CC4)nc3)o2)C1
InChIInChI=1S/C28H30F3N7O3/c1-17-5-4-12-37(16-17)27-35-24(28(29,30)31)23(41-27)25(39)33-18-8-9-22(32-15-18)36-13-10-19(11-14-36)38-21-7-3-2-6-20(21)34-26(38)40/h2-3,6-9,15,17,19H,4-5,10-14,16H2,1H3,(H,33,39)(H,34,40)
InChIKeySVOABSCKCFCUFB-UHFFFAOYSA-N
XLogP5.06
TPSA112.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.59
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(3-methylpiperidin-1-yl)-N-[6-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperidin-1-yl)-N-[6-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-(3-methylpiperidin-1-yl)-N-[6-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (CID 46209125) is 2-(3-methylpiperidin-1-yl)-N-[6-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-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-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-(3-methylpiperidin-1-yl)-N-[6-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is CC1CCCN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc(N4CCC(n5c(=O)[nH]c6ccccc65)CC4)nc3)o2)C1.
What is the InChIKey of 2-(3-methylpiperidin-1-yl)-N-[6-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The InChIKey is SVOABSCKCFCUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F3N7O3/c1-17-5-4-12-37(16-17)27-35-24(28(29,30)31)23(41-27)25(39)33-18-8-9-22(32-15-18)36-13-10-19(11-14-36)38-21-7-3-2-6-20(21)34-26(38)40/h2-3,6-9,15,17,19H,4-5,10-14,16H2,1H3,(H,33,39)(H,34,40).
What are the key properties of 2-(3-methylpiperidin-1-yl)-N-[6-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
2-(3-methylpiperidin-1-yl)-N-[6-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 569.59 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperidin-1-yl)-N-[6-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 46209125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).