N-(oxan-4-yl)-2-[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]acetamide

C18H28F3N3O3 — CID 165431645

IUPACN-(oxan-4-yl)-2-[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]acetamide
SMILESO=C(CC1CCN(C2CCN(CC(F)(F)F)C2=O)CC1)NC1CCOCC1
InChIInChI=1S/C18H28F3N3O3/c19-18(20,21)12-24-8-3-15(17(24)26)23-6-1-13(2-7-23)11-16(25)22-14-4-9-27-10-5-14/h13-15H,1-12H2,(H,22,25)
InChIKeyUFPFICTTYXIKGD-UHFFFAOYSA-N
MW391.43 g/mol
LogP1.55
Rot. Bonds5

About N-(oxan-4-yl)-2-[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]acetamide

N-(oxan-4-yl)-2-[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]acetamide (PubChem CID 165431645) has the molecular formula C18H28F3N3O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-(oxan-4-yl)-2-[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-2-[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]acetamide
PubChem CID165431645
Molecular FormulaC18H28F3N3O3
Molecular Weight391.43 g/mol
Exact Mass391.21
IUPAC NameN-(oxan-4-yl)-2-[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]acetamide
SMILESO=C(CC1CCN(C2CCN(CC(F)(F)F)C2=O)CC1)NC1CCOCC1
InChIInChI=1S/C18H28F3N3O3/c19-18(20,21)12-24-8-3-15(17(24)26)23-6-1-13(2-7-23)11-16(25)22-14-4-9-27-10-5-14/h13-15H,1-12H2,(H,22,25)
InChIKeyUFPFICTTYXIKGD-UHFFFAOYSA-N
XLogP1.55
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-2-[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]acetamide?
The IUPAC name of N-(oxan-4-yl)-2-[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]acetamide (CID 165431645) is N-(oxan-4-yl)-2-[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-(oxan-4-yl)-2-[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]acetamide?
The canonical SMILES for N-(oxan-4-yl)-2-[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]acetamide is O=C(CC1CCN(C2CCN(CC(F)(F)F)C2=O)CC1)NC1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)-2-[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]acetamide?
The InChIKey is UFPFICTTYXIKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28F3N3O3/c19-18(20,21)12-24-8-3-15(17(24)26)23-6-1-13(2-7-23)11-16(25)22-14-4-9-27-10-5-14/h13-15H,1-12H2,(H,22,25).
What are the key properties of N-(oxan-4-yl)-2-[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]acetamide?
N-(oxan-4-yl)-2-[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]acetamide has a molecular weight of 391.43 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-2-[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 165431645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).