(2-methyl-1H-pyrrol-3-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone

C12H15F3N2O — CID 126739502

IUPAC(2-methyl-1H-pyrrol-3-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCc1[nH]ccc1C(=O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H15F3N2O/c1-8-10(2-5-16-8)11(18)17-6-3-9(4-7-17)12(13,14)15/h2,5,9,16H,3-4,6-7H2,1H3
InChIKeyJBXCHNOAXIYCPF-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.74
Rot. Bonds1

About (2-methyl-1H-pyrrol-3-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone

(2-methyl-1H-pyrrol-3-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 126739502) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is (2-methyl-1H-pyrrol-3-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methyl-1H-pyrrol-3-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID126739502
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name(2-methyl-1H-pyrrol-3-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCc1[nH]ccc1C(=O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H15F3N2O/c1-8-10(2-5-16-8)11(18)17-6-3-9(4-7-17)12(13,14)15/h2,5,9,16H,3-4,6-7H2,1H3
InChIKeyJBXCHNOAXIYCPF-UHFFFAOYSA-N
XLogP2.74
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-ethyl-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11380404
2-(3-Fluoropyridin-4-yl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-one
CID 11630374
7-methyl-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11658652
7-(2-fluoroethyl)-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 25190890
5-pyridin-4-yl-1H-pyrrole-3-carboxylic Acid Amide
CID 49788936
6-methyl-N-(1-methylpiperidin-4-yl)-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338490
N,6-dimethyl-7-oxo-N-(1-propan-2-ylpiperidin-4-yl)-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338530
N,6-dimethyl-N-(1-methylpiperidin-4-yl)-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338574
1-Benzyl-1H-pyrrolo[3,2-c]pyridin-4(5H)-one
CID 14114385
1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 22038513
2-methyl-5-pyridin-4-yl-1H-pyrrole-3-carboxamide
CID 49788553
2-ethyl-5-pyridin-4-yl-1H-pyrrole-3-carboxamide
CID 49788554

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1H-pyrrol-3-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-methyl-1H-pyrrol-3-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone (CID 126739502) is (2-methyl-1H-pyrrol-3-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methyl-1H-pyrrol-3-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-methyl-1H-pyrrol-3-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone is Cc1[nH]ccc1C(=O)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of (2-methyl-1H-pyrrol-3-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is JBXCHNOAXIYCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-8-10(2-5-16-8)11(18)17-6-3-9(4-7-17)12(13,14)15/h2,5,9,16H,3-4,6-7H2,1H3.
What are the key properties of (2-methyl-1H-pyrrol-3-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
(2-methyl-1H-pyrrol-3-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 260.26 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1H-pyrrol-3-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 126739502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).