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

C14H25F3N4O2 — CID 30738653

IUPAC(2R)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C)NC(=O)CN1CCN([C@H](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)/t11-/m1/s1
InChIKeyYJVRLBORNCMRMB-LLVKDONJSA-N
MW338.37 g/mol
LogP0.20
Rot. Bonds6

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

(2R)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 30738653) has the molecular formula C14H25F3N4O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is (2R)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID30738653
Molecular FormulaC14H25F3N4O2
Molecular Weight338.37 g/mol
Exact Mass338.19
IUPAC Name(2R)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C)NC(=O)CN1CCN([C@H](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)/t11-/m1/s1
InChIKeyYJVRLBORNCMRMB-LLVKDONJSA-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

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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 (2R)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of (2R)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide (CID 30738653) is (2R)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for (2R)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for (2R)-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@H](C)C(=O)NCC(F)(F)F)CC1.
What is the InChIKey of (2R)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is YJVRLBORNCMRMB-LLVKDONJSA-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)/t11-/m1/s1.
What are the key properties of (2R)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
(2R)-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 (2R)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 30738653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).