N-methyl-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C14H24F3N3O2 — CID 95632777

IUPACN-methyl-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)CN1CCN(C[C@@H]2CCCO2)CC1
InChIInChI=1S/C14H24F3N3O2/c1-18(11-14(15,16)17)13(21)10-20-6-4-19(5-7-20)9-12-3-2-8-22-12/h12H,2-11H2,1H3/t12-/m0/s1
InChIKeyNHCSVCSTBDADCI-LBPRGKRZSA-N
MW323.36 g/mol
LogP0.80
Rot. Bonds5

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

N-methyl-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 95632777) has the molecular formula C14H24F3N3O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-methyl-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID95632777
Molecular FormulaC14H24F3N3O2
Molecular Weight323.36 g/mol
Exact Mass323.18
IUPAC NameN-methyl-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)CN1CCN(C[C@@H]2CCCO2)CC1
InChIInChI=1S/C14H24F3N3O2/c1-18(11-14(15,16)17)13(21)10-20-6-4-19(5-7-20)9-12-3-2-8-22-12/h12H,2-11H2,1H3/t12-/m0/s1
InChIKeyNHCSVCSTBDADCI-LBPRGKRZSA-N
XLogP0.80
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-methyl-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 95632777) is N-methyl-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-methyl-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-methyl-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is CN(CC(F)(F)F)C(=O)CN1CCN(C[C@@H]2CCCO2)CC1.
What is the InChIKey of N-methyl-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is NHCSVCSTBDADCI-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H24F3N3O2/c1-18(11-14(15,16)17)13(21)10-20-6-4-19(5-7-20)9-12-3-2-8-22-12/h12H,2-11H2,1H3/t12-/m0/s1.
What are the key properties of N-methyl-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
N-methyl-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 323.36 g/mol, XLogP of 0.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 95632777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).