(2-propylpyrrolidin-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

C14H23F3N2O — CID 106974507

IUPAC(2-propylpyrrolidin-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCCCC1(C(=O)N2CCCC(C(F)(F)F)C2)CCCN1
InChIInChI=1S/C14H23F3N2O/c1-2-6-13(7-4-8-18-13)12(20)19-9-3-5-11(10-19)14(15,16)17/h11,18H,2-10H2,1H3
InChIKeyHGHSPHUDGZMBMK-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.71
Rot. Bonds3

About (2-propylpyrrolidin-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

(2-propylpyrrolidin-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 106974507) has the molecular formula C14H23F3N2O and a molecular weight of 292.34 g/mol. Its IUPAC name is (2-propylpyrrolidin-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-propylpyrrolidin-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID106974507
Molecular FormulaC14H23F3N2O
Molecular Weight292.34 g/mol
Exact Mass292.18
IUPAC Name(2-propylpyrrolidin-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCCCC1(C(=O)N2CCCC(C(F)(F)F)C2)CCCN1
InChIInChI=1S/C14H23F3N2O/c1-2-6-13(7-4-8-18-13)12(20)19-9-3-5-11(10-19)14(15,16)17/h11,18H,2-10H2,1H3
InChIKeyHGHSPHUDGZMBMK-UHFFFAOYSA-N
XLogP2.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-propylpyrrolidin-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-propylpyrrolidin-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (CID 106974507) is (2-propylpyrrolidin-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-propylpyrrolidin-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-propylpyrrolidin-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is CCCC1(C(=O)N2CCCC(C(F)(F)F)C2)CCCN1.
What is the InChIKey of (2-propylpyrrolidin-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is HGHSPHUDGZMBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O/c1-2-6-13(7-4-8-18-13)12(20)19-9-3-5-11(10-19)14(15,16)17/h11,18H,2-10H2,1H3.
What are the key properties of (2-propylpyrrolidin-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
(2-propylpyrrolidin-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 292.34 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propylpyrrolidin-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 106974507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).