2-(2-oxopiperazin-1-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]acetamide

C15H25F3N4O3 — CID 118349044

IUPAC2-(2-oxopiperazin-1-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]acetamide
SMILESC[C@@H](NC(=O)CN1CCNCC1=O)C1CCC(OCC(F)(F)F)CN1
InChIInChI=1S/C15H25F3N4O3/c1-10(21-13(23)8-22-5-4-19-7-14(22)24)12-3-2-11(6-20-12)25-9-15(16,17)18/h10-12,19-20H,2-9H2,1H3,(H,21,23)/t10-,11?,12?/m1/s1
InChIKeyWVYGOFVWBJCUPA-VOMCLLRMSA-N
MW366.38 g/mol
LogP-0.38
Rot. Bonds6

About 2-(2-oxopiperazin-1-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]acetamide

2-(2-oxopiperazin-1-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]acetamide (PubChem CID 118349044) has the molecular formula C15H25F3N4O3 and a molecular weight of 366.38 g/mol. Its IUPAC name is 2-(2-oxopiperazin-1-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(2-oxopiperazin-1-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]acetamide
PubChem CID118349044
Molecular FormulaC15H25F3N4O3
Molecular Weight366.38 g/mol
Exact Mass366.19
IUPAC Name2-(2-oxopiperazin-1-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]acetamide
SMILESC[C@@H](NC(=O)CN1CCNCC1=O)C1CCC(OCC(F)(F)F)CN1
InChIInChI=1S/C15H25F3N4O3/c1-10(21-13(23)8-22-5-4-19-7-14(22)24)12-3-2-11(6-20-12)25-9-15(16,17)18/h10-12,19-20H,2-9H2,1H3,(H,21,23)/t10-,11?,12?/m1/s1
InChIKeyWVYGOFVWBJCUPA-VOMCLLRMSA-N
XLogP-0.38
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopiperazin-1-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]acetamide?
The IUPAC name of 2-(2-oxopiperazin-1-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]acetamide (CID 118349044) is 2-(2-oxopiperazin-1-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]acetamide.
What is the SMILES notation for 2-(2-oxopiperazin-1-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]acetamide?
The canonical SMILES for 2-(2-oxopiperazin-1-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]acetamide is C[C@@H](NC(=O)CN1CCNCC1=O)C1CCC(OCC(F)(F)F)CN1.
What is the InChIKey of 2-(2-oxopiperazin-1-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]acetamide?
The InChIKey is WVYGOFVWBJCUPA-VOMCLLRMSA-N. The full InChI is InChI=1S/C15H25F3N4O3/c1-10(21-13(23)8-22-5-4-19-7-14(22)24)12-3-2-11(6-20-12)25-9-15(16,17)18/h10-12,19-20H,2-9H2,1H3,(H,21,23)/t10-,11?,12?/m1/s1.
What are the key properties of 2-(2-oxopiperazin-1-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]acetamide?
2-(2-oxopiperazin-1-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]acetamide has a molecular weight of 366.38 g/mol, XLogP of -0.38, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopiperazin-1-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]acetamide is sourced from PubChem (CID 118349044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).