1-cyclopentyl-4-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]methyl]piperazine-2,3-dione

C19H24F2N4O2 — CID 166103430

IUPAC1-cyclopentyl-4-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]methyl]piperazine-2,3-dione
SMILESO=C1C(=O)N(C2CCCC2)CCN1Cc1ccc(N2CCC(F)(F)C2)nc1
InChIInChI=1S/C19H24F2N4O2/c20-19(21)7-8-24(13-19)16-6-5-14(11-22-16)12-23-9-10-25(18(27)17(23)26)15-3-1-2-4-15/h5-6,11,15H,1-4,7-10,12-13H2
InChIKeyLRJTYFBSPSBPKP-UHFFFAOYSA-N
MW378.42 g/mol
LogP2.04
Rot. Bonds4

About 1-cyclopentyl-4-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]methyl]piperazine-2,3-dione

1-cyclopentyl-4-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]methyl]piperazine-2,3-dione (PubChem CID 166103430) has the molecular formula C19H24F2N4O2 and a molecular weight of 378.42 g/mol. Its IUPAC name is 1-cyclopentyl-4-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]methyl]piperazine-2,3-dione.

Molecular Properties

Compound Name1-cyclopentyl-4-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]methyl]piperazine-2,3-dione
PubChem CID166103430
Molecular FormulaC19H24F2N4O2
Molecular Weight378.42 g/mol
Exact Mass378.19
IUPAC Name1-cyclopentyl-4-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]methyl]piperazine-2,3-dione
SMILESO=C1C(=O)N(C2CCCC2)CCN1Cc1ccc(N2CCC(F)(F)C2)nc1
InChIInChI=1S/C19H24F2N4O2/c20-19(21)7-8-24(13-19)16-6-5-14(11-22-16)12-23-9-10-25(18(27)17(23)26)15-3-1-2-4-15/h5-6,11,15H,1-4,7-10,12-13H2
InChIKeyLRJTYFBSPSBPKP-UHFFFAOYSA-N
XLogP2.04
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]methyl]piperazine-2,3-dione?
The IUPAC name of 1-cyclopentyl-4-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]methyl]piperazine-2,3-dione (CID 166103430) is 1-cyclopentyl-4-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]methyl]piperazine-2,3-dione.
What is the SMILES notation for 1-cyclopentyl-4-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]methyl]piperazine-2,3-dione?
The canonical SMILES for 1-cyclopentyl-4-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]methyl]piperazine-2,3-dione is O=C1C(=O)N(C2CCCC2)CCN1Cc1ccc(N2CCC(F)(F)C2)nc1.
What is the InChIKey of 1-cyclopentyl-4-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]methyl]piperazine-2,3-dione?
The InChIKey is LRJTYFBSPSBPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N4O2/c20-19(21)7-8-24(13-19)16-6-5-14(11-22-16)12-23-9-10-25(18(27)17(23)26)15-3-1-2-4-15/h5-6,11,15H,1-4,7-10,12-13H2.
What are the key properties of 1-cyclopentyl-4-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]methyl]piperazine-2,3-dione?
1-cyclopentyl-4-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]methyl]piperazine-2,3-dione has a molecular weight of 378.42 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]methyl]piperazine-2,3-dione is sourced from PubChem (CID 166103430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).