N-methyl-2-oxo-1-[1-[2-oxo-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide

C22H28F3N5O3 — CID 69044726

IUPACN-methyl-2-oxo-1-[1-[2-oxo-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide
SMILESCNC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCN(CC(=O)N2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C22H28F3N5O3/c1-26-20(32)14-2-3-18-17(12-14)27-21(33)30(18)16-6-8-28(9-7-16)13-19(31)29-10-4-15(5-11-29)22(23,24)25/h2-3,12,15-16H,4-11,13H2,1H3,(H,26,32)(H,27,33)
InChIKeyYBNSXJZVKOAGQF-UHFFFAOYSA-N
MW467.49 g/mol
LogP2.13
Rot. Bonds4

About N-methyl-2-oxo-1-[1-[2-oxo-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide

N-methyl-2-oxo-1-[1-[2-oxo-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide (PubChem CID 69044726) has the molecular formula C22H28F3N5O3 and a molecular weight of 467.49 g/mol. Its IUPAC name is N-methyl-2-oxo-1-[1-[2-oxo-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-2-oxo-1-[1-[2-oxo-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide
PubChem CID69044726
Molecular FormulaC22H28F3N5O3
Molecular Weight467.49 g/mol
Exact Mass467.21
IUPAC NameN-methyl-2-oxo-1-[1-[2-oxo-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide
SMILESCNC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCN(CC(=O)N2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C22H28F3N5O3/c1-26-20(32)14-2-3-18-17(12-14)27-21(33)30(18)16-6-8-28(9-7-16)13-19(31)29-10-4-15(5-11-29)22(23,24)25/h2-3,12,15-16H,4-11,13H2,1H3,(H,26,32)(H,27,33)
InChIKeyYBNSXJZVKOAGQF-UHFFFAOYSA-N
XLogP2.13
TPSA90.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.49
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-1-[1-[2-oxo-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-methyl-2-oxo-1-[1-[2-oxo-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide (CID 69044726) is N-methyl-2-oxo-1-[1-[2-oxo-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-methyl-2-oxo-1-[1-[2-oxo-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-methyl-2-oxo-1-[1-[2-oxo-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide is CNC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCN(CC(=O)N2CCC(C(F)(F)F)CC2)CC1.
What is the InChIKey of N-methyl-2-oxo-1-[1-[2-oxo-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide?
The InChIKey is YBNSXJZVKOAGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F3N5O3/c1-26-20(32)14-2-3-18-17(12-14)27-21(33)30(18)16-6-8-28(9-7-16)13-19(31)29-10-4-15(5-11-29)22(23,24)25/h2-3,12,15-16H,4-11,13H2,1H3,(H,26,32)(H,27,33).
What are the key properties of N-methyl-2-oxo-1-[1-[2-oxo-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide?
N-methyl-2-oxo-1-[1-[2-oxo-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide has a molecular weight of 467.49 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-1-[1-[2-oxo-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 69044726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).