3-(2-aminoethoxy)-1-[1-[5-(difluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one

C16H23F2N5O2 — CID 156733470

IUPAC3-(2-aminoethoxy)-1-[1-[5-(difluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one
SMILESNCCOC1CCN(C2CCN(c3ncc(C(F)F)cn3)CC2)C1=O
InChIInChI=1S/C16H23F2N5O2/c17-14(18)11-9-20-16(21-10-11)22-5-1-12(2-6-22)23-7-3-13(15(23)24)25-8-4-19/h9-10,12-14H,1-8,19H2
InChIKeyPWANOXSQDLYECE-UHFFFAOYSA-N
MW355.39 g/mol
LogP0.96
Rot. Bonds6

About 3-(2-aminoethoxy)-1-[1-[5-(difluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one

3-(2-aminoethoxy)-1-[1-[5-(difluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one (PubChem CID 156733470) has the molecular formula C16H23F2N5O2 and a molecular weight of 355.39 g/mol. Its IUPAC name is 3-(2-aminoethoxy)-1-[1-[5-(difluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-(2-aminoethoxy)-1-[1-[5-(difluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one
PubChem CID156733470
Molecular FormulaC16H23F2N5O2
Molecular Weight355.39 g/mol
Exact Mass355.18
IUPAC Name3-(2-aminoethoxy)-1-[1-[5-(difluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one
SMILESNCCOC1CCN(C2CCN(c3ncc(C(F)F)cn3)CC2)C1=O
InChIInChI=1S/C16H23F2N5O2/c17-14(18)11-9-20-16(21-10-11)22-5-1-12(2-6-22)23-7-3-13(15(23)24)25-8-4-19/h9-10,12-14H,1-8,19H2
InChIKeyPWANOXSQDLYECE-UHFFFAOYSA-N
XLogP0.96
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(2-aminoethoxy)-1-[1-[5-(difluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethoxy)-1-[1-[5-(difluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 3-(2-aminoethoxy)-1-[1-[5-(difluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one (CID 156733470) is 3-(2-aminoethoxy)-1-[1-[5-(difluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 3-(2-aminoethoxy)-1-[1-[5-(difluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 3-(2-aminoethoxy)-1-[1-[5-(difluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one is NCCOC1CCN(C2CCN(c3ncc(C(F)F)cn3)CC2)C1=O.
What is the InChIKey of 3-(2-aminoethoxy)-1-[1-[5-(difluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is PWANOXSQDLYECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N5O2/c17-14(18)11-9-20-16(21-10-11)22-5-1-12(2-6-22)23-7-3-13(15(23)24)25-8-4-19/h9-10,12-14H,1-8,19H2.
What are the key properties of 3-(2-aminoethoxy)-1-[1-[5-(difluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one?
3-(2-aminoethoxy)-1-[1-[5-(difluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 355.39 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethoxy)-1-[1-[5-(difluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 156733470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).