N-(2-methylpropyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C18H31F3N4O3 — CID 78898090

IUPACN-(2-methylpropyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)CN1CCN(C(=O)CN2CCOCC2)CC1
InChIInChI=1S/C18H31F3N4O3/c1-15(2)11-25(14-18(19,20)21)17(27)13-22-3-5-24(6-4-22)16(26)12-23-7-9-28-10-8-23/h15H,3-14H2,1-2H3
InChIKeyMWAMKRPULLROSN-UHFFFAOYSA-N
MW408.47 g/mol
LogP0.51
Rot. Bonds7

About N-(2-methylpropyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

N-(2-methylpropyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 78898090) has the molecular formula C18H31F3N4O3 and a molecular weight of 408.47 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID78898090
Molecular FormulaC18H31F3N4O3
Molecular Weight408.47 g/mol
Exact Mass408.23
IUPAC NameN-(2-methylpropyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)CN1CCN(C(=O)CN2CCOCC2)CC1
InChIInChI=1S/C18H31F3N4O3/c1-15(2)11-25(14-18(19,20)21)17(27)13-22-3-5-24(6-4-22)16(26)12-23-7-9-28-10-8-23/h15H,3-14H2,1-2H3
InChIKeyMWAMKRPULLROSN-UHFFFAOYSA-N
XLogP0.51
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(2-methylpropyl)-2-[4-(2-morpholin-4-ylacetyl)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

4-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]pentan-1-one;dihydrochloride
CID 120564429
N,N-bis(3-methylbutyl)-4-(2-morpholin-4-ylacetyl)piperazine-1-sulfonamide
CID 55988894
N-ethyl-1-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidine-4-carboxamide
CID 87016273
N,N-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
CID 52542447
(2R)-2-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
CID 119840052
(2S)-2-amino-4-methyl-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pentan-1-one;dihydrochloride
CID 119834293
2-morpholin-4-yl-1-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanone
CID 55506472
ethyl N-[1-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidin-3-yl]carbamate
CID 87017323
N-methyl-N-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide
CID 55607982
N-(2-methyl-4-oxopentan-3-yl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide
CID 55541672
2-morpholin-4-yl-1-[4-(4-propan-2-yloxybutyl)piperazin-1-yl]ethanone
CID 176777461
2-tert-butylsulfanyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78877747

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(2-methylpropyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 78898090) is N-(2-methylpropyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is CC(C)CN(CC(F)(F)F)C(=O)CN1CCN(C(=O)CN2CCOCC2)CC1.
What is the InChIKey of N-(2-methylpropyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is MWAMKRPULLROSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31F3N4O3/c1-15(2)11-25(14-18(19,20)21)17(27)13-22-3-5-24(6-4-22)16(26)12-23-7-9-28-10-8-23/h15H,3-14H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
N-(2-methylpropyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 408.47 g/mol, XLogP of 0.51, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 78898090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).