2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide

C14H25F3N4O2 — CID 42918122

IUPAC2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C)NC(=O)CN1CCN(C(C)C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C14H25F3N4O2/c1-10(2)19-12(22)8-20-4-6-21(7-5-20)11(3)13(23)18-9-14(15,16)17/h10-11H,4-9H2,1-3H3,(H,18,23)(H,19,22)
InChIKeyYJVRLBORNCMRMB-UHFFFAOYSA-N
MW338.37 g/mol
LogP0.20
Rot. Bonds6

About 2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide

2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 42918122) has the molecular formula C14H25F3N4O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID42918122
Molecular FormulaC14H25F3N4O2
Molecular Weight338.37 g/mol
Exact Mass338.19
IUPAC Name2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C)NC(=O)CN1CCN(C(C)C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C14H25F3N4O2/c1-10(2)19-12(22)8-20-4-6-21(7-5-20)11(3)13(23)18-9-14(15,16)17/h10-11H,4-9H2,1-3H3,(H,18,23)(H,19,22)
InChIKeyYJVRLBORNCMRMB-UHFFFAOYSA-N
XLogP0.20
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide with MolForge

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Related Compounds

N-(pentan-3-yl)-2-(4-propanoylpiperazin-1-yl)acetamide
CID 49853777
3-(2,2,2-Trifluoroethyl)piperazin-2-one
CID 55253120
1,3-Diethylpiperazin-2-one
CID 63601219
N-cyclopropyl-2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
CID 84598300
3-(Trifluoromethyl)piperazin-2-one
CID 82597592
N-isopropyl-2-(piperazin-1-yl)propanamide
CID 13454833
N-cyclopropyl-2-(piperazin-1-yl)propanamide
CID 16227404
N-(butan-2-yl)-2-(piperazin-1-yl)acetamide
CID 13289375
1,3,5,6-Tetramethylpiperazin-2-one
CID 122163249
1,3-Dimethyl-2,5-diketopiperazine
CID 23278159
1,3,6-Trimethylpiperazine-2,5-dione
CID 45117251
(2S)-N-[2-(cyanomethylamino)-2-oxoethyl]-2-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 44332726

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide (CID 42918122) is 2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide is CC(C)NC(=O)CN1CCN(C(C)C(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is YJVRLBORNCMRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N4O2/c1-10(2)19-12(22)8-20-4-6-21(7-5-20)11(3)13(23)18-9-14(15,16)17/h10-11H,4-9H2,1-3H3,(H,18,23)(H,19,22).
What are the key properties of 2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 338.37 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 42918122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).