N-cyclopropyl-1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-4-carboxamide

C15H22F3N3O2 — CID 163352596

IUPACN-cyclopropyl-1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(C2CCN(CC(F)(F)F)C2=O)CC1
InChIInChI=1S/C15H22F3N3O2/c16-15(17,18)9-21-8-5-12(14(21)23)20-6-3-10(4-7-20)13(22)19-11-1-2-11/h10-12H,1-9H2,(H,19,22)
InChIKeyOCBKHLKAGDRKKR-UHFFFAOYSA-N
MW333.35 g/mol
LogP1.14
Rot. Bonds4

About N-cyclopropyl-1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-4-carboxamide

N-cyclopropyl-1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-4-carboxamide (PubChem CID 163352596) has the molecular formula C15H22F3N3O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is N-cyclopropyl-1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-4-carboxamide
PubChem CID163352596
Molecular FormulaC15H22F3N3O2
Molecular Weight333.35 g/mol
Exact Mass333.17
IUPAC NameN-cyclopropyl-1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(C2CCN(CC(F)(F)F)C2=O)CC1
InChIInChI=1S/C15H22F3N3O2/c16-15(17,18)9-21-8-5-12(14(21)23)20-6-3-10(4-7-20)13(22)19-11-1-2-11/h10-12H,1-9H2,(H,19,22)
InChIKeyOCBKHLKAGDRKKR-UHFFFAOYSA-N
XLogP1.14
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-4-carboxamide (CID 163352596) is N-cyclopropyl-1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-4-carboxamide is O=C(NC1CC1)C1CCN(C2CCN(CC(F)(F)F)C2=O)CC1.
What is the InChIKey of N-cyclopropyl-1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-4-carboxamide?
The InChIKey is OCBKHLKAGDRKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O2/c16-15(17,18)9-21-8-5-12(14(21)23)20-6-3-10(4-7-20)13(22)19-11-1-2-11/h10-12H,1-9H2,(H,19,22).
What are the key properties of N-cyclopropyl-1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-4-carboxamide?
N-cyclopropyl-1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-4-carboxamide has a molecular weight of 333.35 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 163352596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).