N-(2-cyanoethyl)-N-methyl-2-[2-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide

C15H25F3N4O — CID 75451491

IUPACN-(2-cyanoethyl)-N-methyl-2-[2-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
SMILESCC(C)C1CN(CC(F)(F)F)CCN1CC(=O)N(C)CCC#N
InChIInChI=1S/C15H25F3N4O/c1-12(2)13-9-21(11-15(16,17)18)7-8-22(13)10-14(23)20(3)6-4-5-19/h12-13H,4,6-11H2,1-3H3
InChIKeyLQYCDBATWXOGTR-UHFFFAOYSA-N
MW334.39 g/mol
LogP1.56
Rot. Bonds6

About N-(2-cyanoethyl)-N-methyl-2-[2-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide

N-(2-cyanoethyl)-N-methyl-2-[2-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide (PubChem CID 75451491) has the molecular formula C15H25F3N4O and a molecular weight of 334.39 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-2-[2-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-2-[2-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
PubChem CID75451491
Molecular FormulaC15H25F3N4O
Molecular Weight334.39 g/mol
Exact Mass334.20
IUPAC NameN-(2-cyanoethyl)-N-methyl-2-[2-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
SMILESCC(C)C1CN(CC(F)(F)F)CCN1CC(=O)N(C)CCC#N
InChIInChI=1S/C15H25F3N4O/c1-12(2)13-9-21(11-15(16,17)18)7-8-22(13)10-14(23)20(3)6-4-5-19/h12-13H,4,6-11H2,1-3H3
InChIKeyLQYCDBATWXOGTR-UHFFFAOYSA-N
XLogP1.56
TPSA50.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-2-[2-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-2-[2-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide (CID 75451491) is N-(2-cyanoethyl)-N-methyl-2-[2-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-2-[2-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-2-[2-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide is CC(C)C1CN(CC(F)(F)F)CCN1CC(=O)N(C)CCC#N.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-2-[2-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide?
The InChIKey is LQYCDBATWXOGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N4O/c1-12(2)13-9-21(11-15(16,17)18)7-8-22(13)10-14(23)20(3)6-4-5-19/h12-13H,4,6-11H2,1-3H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-2-[2-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide?
N-(2-cyanoethyl)-N-methyl-2-[2-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide has a molecular weight of 334.39 g/mol, XLogP of 1.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methyl-2-[2-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 75451491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).