1-cyclopentyl-5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide

C17H27F3N4O2 — CID 120813021

IUPAC1-cyclopentyl-5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide
SMILESO=C(NCC(N1CCNCC1)C(F)(F)F)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C17H27F3N4O2/c18-17(19,20)14(23-7-5-21-6-8-23)10-22-16(26)12-9-15(25)24(11-12)13-3-1-2-4-13/h12-14,21H,1-11H2,(H,22,26)
InChIKeyJPUXRPLQHAEGBX-UHFFFAOYSA-N
MW376.42 g/mol
LogP0.73
Rot. Bonds5

About 1-cyclopentyl-5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide

1-cyclopentyl-5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide (PubChem CID 120813021) has the molecular formula C17H27F3N4O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 1-cyclopentyl-5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide
PubChem CID120813021
Molecular FormulaC17H27F3N4O2
Molecular Weight376.42 g/mol
Exact Mass376.21
IUPAC Name1-cyclopentyl-5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide
SMILESO=C(NCC(N1CCNCC1)C(F)(F)F)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C17H27F3N4O2/c18-17(19,20)14(23-7-5-21-6-8-23)10-22-16(26)12-9-15(25)24(11-12)13-3-1-2-4-13/h12-14,21H,1-11H2,(H,22,26)
InChIKeyJPUXRPLQHAEGBX-UHFFFAOYSA-N
XLogP0.73
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclopentyl-5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide (CID 120813021) is 1-cyclopentyl-5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide is O=C(NCC(N1CCNCC1)C(F)(F)F)C1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of 1-cyclopentyl-5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide?
The InChIKey is JPUXRPLQHAEGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F3N4O2/c18-17(19,20)14(23-7-5-21-6-8-23)10-22-16(26)12-9-15(25)24(11-12)13-3-1-2-4-13/h12-14,21H,1-11H2,(H,22,26).
What are the key properties of 1-cyclopentyl-5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide?
1-cyclopentyl-5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 120813021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).