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

C14H24F3N3O2 — CID 95632778

IUPACN-methyl-2-[4-[[(2R)-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-/m1/s1
InChIKeyNHCSVCSTBDADCI-GFCCVEGCSA-N
MW323.36 g/mol
LogP0.80
Rot. Bonds5

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

N-methyl-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 95632778) has the molecular formula C14H24F3N3O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-methyl-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID95632778
Molecular FormulaC14H24F3N3O2
Molecular Weight323.36 g/mol
Exact Mass323.18
IUPAC NameN-methyl-2-[4-[[(2R)-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-/m1/s1
InChIKeyNHCSVCSTBDADCI-GFCCVEGCSA-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

Analyze N-methyl-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]acetic acid;hydrochloride
CID 67009184
2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 94759249
1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 23402911
2,2,2-trifluoro-1-[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 63198975
2-(2,6-dimethylmorpholin-4-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 87012335
(2S)-2-methyl-1-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]butan-1-one
CID 94811730
4-oxo-4-[4-(oxolan-2-ylmethyl)piperazin-1-yl]butanoic acid
CID 60662642
2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 55091476
2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 60500146
cyclobutyl-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methanone
CID 94794131
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(oxolan-2-yl)acetamide
CID 79652980
2-methoxy-1-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethanone
CID 94794263

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-methyl-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 95632778) is N-methyl-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-methyl-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-methyl-2-[4-[[(2R)-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-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is NHCSVCSTBDADCI-GFCCVEGCSA-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-/m1/s1.
What are the key properties of N-methyl-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
N-methyl-2-[4-[[(2R)-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-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 95632778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).