2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C16H19F3N4O — CID 95619483

IUPAC2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1CCC[C@@H](c2nc3ccccc3[nH]2)C1)NCC(F)(F)F
InChIInChI=1S/C16H19F3N4O/c17-16(18,19)10-20-14(24)9-23-7-3-4-11(8-23)15-21-12-5-1-2-6-13(12)22-15/h1-2,5-6,11H,3-4,7-10H2,(H,20,24)(H,21,22)/t11-/m1/s1
InChIKeyGXNLZNZVUGEARM-LLVKDONJSA-N
MW340.35 g/mol
LogP2.42
Rot. Bonds4

About 2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 95619483) has the molecular formula C16H19F3N4O and a molecular weight of 340.35 g/mol. Its IUPAC name is 2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID95619483
Molecular FormulaC16H19F3N4O
Molecular Weight340.35 g/mol
Exact Mass340.15
IUPAC Name2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1CCC[C@@H](c2nc3ccccc3[nH]2)C1)NCC(F)(F)F
InChIInChI=1S/C16H19F3N4O/c17-16(18,19)10-20-14(24)9-23-7-3-4-11(8-23)15-21-12-5-1-2-6-13(12)22-15/h1-2,5-6,11H,3-4,7-10H2,(H,20,24)(H,21,22)/t11-/m1/s1
InChIKeyGXNLZNZVUGEARM-LLVKDONJSA-N
XLogP2.42
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 56785945
2-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 43981456
2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 93237874
1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 94811323
2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 97212090
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 51327259
methyl 3-(1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 110404102
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(benzotriazol-1-yl)ethanone
CID 46542392
3-(1H-benzimidazol-2-yl)-N-benzylpiperidine-1-carboxamide
CID 42934572
methyl N-[2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]carbamate
CID 94179831
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-methoxyethanone
CID 47140725
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-cyclopentylacetamide
CID 16810435

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 95619483) is 2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is O=C(CN1CCC[C@@H](c2nc3ccccc3[nH]2)C1)NCC(F)(F)F.
What is the InChIKey of 2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is GXNLZNZVUGEARM-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19F3N4O/c17-16(18,19)10-20-14(24)9-23-7-3-4-11(8-23)15-21-12-5-1-2-6-13(12)22-15/h1-2,5-6,11H,3-4,7-10H2,(H,20,24)(H,21,22)/t11-/m1/s1.
What are the key properties of 2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 340.35 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 95619483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).