(3,3-difluoropyrrolidin-1-yl)-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone

C15H25F2N3O — CID 118303166

IUPAC(3,3-difluoropyrrolidin-1-yl)-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone
SMILESCN1CCC(C2CCCN2C(=O)N2CCC(F)(F)C2)CC1
InChIInChI=1S/C15H25F2N3O/c1-18-8-4-12(5-9-18)13-3-2-7-20(13)14(21)19-10-6-15(16,17)11-19/h12-13H,2-11H2,1H3
InChIKeyCOSSIEMVCKYTGS-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.25
Rot. Bonds1

About (3,3-difluoropyrrolidin-1-yl)-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone

(3,3-difluoropyrrolidin-1-yl)-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone (PubChem CID 118303166) has the molecular formula C15H25F2N3O and a molecular weight of 301.38 g/mol. Its IUPAC name is (3,3-difluoropyrrolidin-1-yl)-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3,3-difluoropyrrolidin-1-yl)-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone
PubChem CID118303166
Molecular FormulaC15H25F2N3O
Molecular Weight301.38 g/mol
Exact Mass301.20
IUPAC Name(3,3-difluoropyrrolidin-1-yl)-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone
SMILESCN1CCC(C2CCCN2C(=O)N2CCC(F)(F)C2)CC1
InChIInChI=1S/C15H25F2N3O/c1-18-8-4-12(5-9-18)13-3-2-7-20(13)14(21)19-10-6-15(16,17)11-19/h12-13H,2-11H2,1H3
InChIKeyCOSSIEMVCKYTGS-UHFFFAOYSA-N
XLogP2.25
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluoropyrrolidin-1-yl)-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3,3-difluoropyrrolidin-1-yl)-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone (CID 118303166) is (3,3-difluoropyrrolidin-1-yl)-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3,3-difluoropyrrolidin-1-yl)-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3,3-difluoropyrrolidin-1-yl)-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone is CN1CCC(C2CCCN2C(=O)N2CCC(F)(F)C2)CC1.
What is the InChIKey of (3,3-difluoropyrrolidin-1-yl)-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone?
The InChIKey is COSSIEMVCKYTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F2N3O/c1-18-8-4-12(5-9-18)13-3-2-7-20(13)14(21)19-10-6-15(16,17)11-19/h12-13H,2-11H2,1H3.
What are the key properties of (3,3-difluoropyrrolidin-1-yl)-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone?
(3,3-difluoropyrrolidin-1-yl)-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone has a molecular weight of 301.38 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoropyrrolidin-1-yl)-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 118303166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).