(2R)-2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide

C14H26F3N3O2 — CID 124778877

IUPAC(2R)-2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC[C@@H]1CN([C@H](C)C(=O)NCC(F)(F)F)CCN1CCOC
InChIInChI=1S/C14H26F3N3O2/c1-4-12-9-20(6-5-19(12)7-8-22-3)11(2)13(21)18-10-14(15,16)17/h11-12H,4-10H2,1-3H3,(H,18,21)/t11-,12-/m1/s1
InChIKeyNHARBXOUIGYYGO-VXGBXAGGSA-N
MW325.38 g/mol
LogP1.10
Rot. Bonds7

About (2R)-2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide

(2R)-2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 124778877) has the molecular formula C14H26F3N3O2 and a molecular weight of 325.38 g/mol. Its IUPAC name is (2R)-2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID124778877
Molecular FormulaC14H26F3N3O2
Molecular Weight325.38 g/mol
Exact Mass325.20
IUPAC Name(2R)-2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC[C@@H]1CN([C@H](C)C(=O)NCC(F)(F)F)CCN1CCOC
InChIInChI=1S/C14H26F3N3O2/c1-4-12-9-20(6-5-19(12)7-8-22-3)11(2)13(21)18-10-14(15,16)17/h11-12H,4-10H2,1-3H3,(H,18,21)/t11-,12-/m1/s1
InChIKeyNHARBXOUIGYYGO-VXGBXAGGSA-N
XLogP1.10
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of (2R)-2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide (CID 124778877) is (2R)-2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for (2R)-2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for (2R)-2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide is CC[C@@H]1CN([C@H](C)C(=O)NCC(F)(F)F)CCN1CCOC.
What is the InChIKey of (2R)-2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is NHARBXOUIGYYGO-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H26F3N3O2/c1-4-12-9-20(6-5-19(12)7-8-22-3)11(2)13(21)18-10-14(15,16)17/h11-12H,4-10H2,1-3H3,(H,18,21)/t11-,12-/m1/s1.
What are the key properties of (2R)-2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
(2R)-2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 325.38 g/mol, XLogP of 1.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 124778877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).