4-hydroxy-N-[2-(3-oxopiperazin-1-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide

C13H21F3N4O3 — CID 127798821

IUPAC4-hydroxy-N-[2-(3-oxopiperazin-1-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESO=C1CN(CCNC(=O)N2CCC(O)(C(F)(F)F)CC2)CCN1
InChIInChI=1S/C13H21F3N4O3/c14-13(15,16)12(23)1-5-20(6-2-12)11(22)18-4-8-19-7-3-17-10(21)9-19/h23H,1-9H2,(H,17,21)(H,18,22)
InChIKeyLMZTYLHMVVFQJA-UHFFFAOYSA-N
MW338.33 g/mol
LogP-0.48
Rot. Bonds3

About 4-hydroxy-N-[2-(3-oxopiperazin-1-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide

4-hydroxy-N-[2-(3-oxopiperazin-1-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 127798821) has the molecular formula C13H21F3N4O3 and a molecular weight of 338.33 g/mol. Its IUPAC name is 4-hydroxy-N-[2-(3-oxopiperazin-1-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[2-(3-oxopiperazin-1-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID127798821
Molecular FormulaC13H21F3N4O3
Molecular Weight338.33 g/mol
Exact Mass338.16
IUPAC Name4-hydroxy-N-[2-(3-oxopiperazin-1-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESO=C1CN(CCNC(=O)N2CCC(O)(C(F)(F)F)CC2)CCN1
InChIInChI=1S/C13H21F3N4O3/c14-13(15,16)12(23)1-5-20(6-2-12)11(22)18-4-8-19-7-3-17-10(21)9-19/h23H,1-9H2,(H,17,21)(H,18,22)
InChIKeyLMZTYLHMVVFQJA-UHFFFAOYSA-N
XLogP-0.48
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-hydroxy-4-(trifluoromethyl)azepane-1-carboxamide
CID 112737624
3-oxo-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperazine-1-carboxamide
CID 71862960
4-[2-(methylamino)ethyl]piperazin-2-one
CID 20607207
N-[2-(3-oxopiperazin-1-yl)ethyl]tetradecanamide
CID 71345985
N-[2-(3-oxopiperazin-1-yl)ethyl]formamide
CID 87676983
2,2-difluoro-3-(3-oxopiperazin-1-yl)propanoic acid
CID 165466795
3-[(3-oxopiperazine-1-carbonyl)amino]propanoic acid
CID 61182862
4-[[3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbonyl]amino]-2,2-dimethylbutanoic acid
CID 120874267
4-(2,2,2-trifluoroethyl)piperazin-2-one
CID 67612876
4-[[3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 120874268
4-(5,5-dimethylhexyl)piperazin-2-one
CID 21304858
N-ethyl-3-oxopiperazine-1-carboxamide
CID 53017572

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[2-(3-oxopiperazin-1-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of 4-hydroxy-N-[2-(3-oxopiperazin-1-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide (CID 127798821) is 4-hydroxy-N-[2-(3-oxopiperazin-1-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[2-(3-oxopiperazin-1-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-hydroxy-N-[2-(3-oxopiperazin-1-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide is O=C1CN(CCNC(=O)N2CCC(O)(C(F)(F)F)CC2)CCN1.
What is the InChIKey of 4-hydroxy-N-[2-(3-oxopiperazin-1-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is LMZTYLHMVVFQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N4O3/c14-13(15,16)12(23)1-5-20(6-2-12)11(22)18-4-8-19-7-3-17-10(21)9-19/h23H,1-9H2,(H,17,21)(H,18,22).
What are the key properties of 4-hydroxy-N-[2-(3-oxopiperazin-1-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide?
4-hydroxy-N-[2-(3-oxopiperazin-1-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 338.33 g/mol, XLogP of -0.48, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[2-(3-oxopiperazin-1-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 127798821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).