N-propan-2-yl-2-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]propanamide

C14H22F3N5O2 — CID 163344537

IUPACN-propan-2-yl-2-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]propanamide
SMILESCC(C)NC(=O)C(C)N1CCN(Cc2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C14H22F3N5O2/c1-9(2)18-12(23)10(3)22-6-4-21(5-7-22)8-11-19-20-13(24-11)14(15,16)17/h9-10H,4-8H2,1-3H3,(H,18,23)
InChIKeyYLEHYHOBKWPNMA-UHFFFAOYSA-N
MW349.36 g/mol
LogP1.12
Rot. Bonds5

About N-propan-2-yl-2-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]propanamide

N-propan-2-yl-2-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]propanamide (PubChem CID 163344537) has the molecular formula C14H22F3N5O2 and a molecular weight of 349.36 g/mol. Its IUPAC name is N-propan-2-yl-2-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]propanamide
PubChem CID163344537
Molecular FormulaC14H22F3N5O2
Molecular Weight349.36 g/mol
Exact Mass349.17
IUPAC NameN-propan-2-yl-2-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]propanamide
SMILESCC(C)NC(=O)C(C)N1CCN(Cc2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C14H22F3N5O2/c1-9(2)18-12(23)10(3)22-6-4-21(5-7-22)8-11-19-20-13(24-11)14(15,16)17/h9-10H,4-8H2,1-3H3,(H,18,23)
InChIKeyYLEHYHOBKWPNMA-UHFFFAOYSA-N
XLogP1.12
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]propanamide?
The IUPAC name of N-propan-2-yl-2-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]propanamide (CID 163344537) is N-propan-2-yl-2-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-propan-2-yl-2-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-propan-2-yl-2-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]propanamide is CC(C)NC(=O)C(C)N1CCN(Cc2nnc(C(F)(F)F)o2)CC1.
What is the InChIKey of N-propan-2-yl-2-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]propanamide?
The InChIKey is YLEHYHOBKWPNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N5O2/c1-9(2)18-12(23)10(3)22-6-4-21(5-7-22)8-11-19-20-13(24-11)14(15,16)17/h9-10H,4-8H2,1-3H3,(H,18,23).
What are the key properties of N-propan-2-yl-2-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]propanamide?
N-propan-2-yl-2-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]propanamide has a molecular weight of 349.36 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 163344537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).