2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-[3-(trifluoromethyl)cyclohexyl]acetamide

C19H31F3N4O3 — CID 78842077

IUPAC2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-[3-(trifluoromethyl)cyclohexyl]acetamide
SMILESO=C(CN1CCN(CC(=O)N2CCOCC2)CC1)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C19H31F3N4O3/c20-19(21,22)15-2-1-3-16(12-15)23-17(27)13-24-4-6-25(7-5-24)14-18(28)26-8-10-29-11-9-26/h15-16H,1-14H2,(H,23,27)
InChIKeyLLYDYJHQPDHDBT-UHFFFAOYSA-N
MW420.48 g/mol
LogP0.70
Rot. Bonds5

About 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-[3-(trifluoromethyl)cyclohexyl]acetamide

2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-[3-(trifluoromethyl)cyclohexyl]acetamide (PubChem CID 78842077) has the molecular formula C19H31F3N4O3 and a molecular weight of 420.48 g/mol. Its IUPAC name is 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-[3-(trifluoromethyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-[3-(trifluoromethyl)cyclohexyl]acetamide
PubChem CID78842077
Molecular FormulaC19H31F3N4O3
Molecular Weight420.48 g/mol
Exact Mass420.23
IUPAC Name2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-[3-(trifluoromethyl)cyclohexyl]acetamide
SMILESO=C(CN1CCN(CC(=O)N2CCOCC2)CC1)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C19H31F3N4O3/c20-19(21,22)15-2-1-3-16(12-15)23-17(27)13-24-4-6-25(7-5-24)14-18(28)26-8-10-29-11-9-26/h15-16H,1-14H2,(H,23,27)
InChIKeyLLYDYJHQPDHDBT-UHFFFAOYSA-N
XLogP0.70
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-aminopiperidin-1-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 79322864
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]acetamide
CID 32813152
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 55526270
N-cyclopentyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide
CID 128951171
2-(tetrazol-1-yl)-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]acetamide
CID 94151419
4-[2-(2-ethylanilino)-2-oxoethyl]-N-[3-(trifluoromethyl)cyclohexyl]piperazine-1-carboxamide
CID 55590102
N-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-3-yl]cyclobutanecarboxamide
CID 171334346
2-[4-(methylamino)piperidin-1-yl]-1-morpholin-4-ylethanone;hydrochloride
CID 119923636
N-[(3S)-1-(2-morpholin-4-yl-2-oxoethyl)piperidin-3-yl]acetamide
CID 97312328
2-[4-[[3-(trifluoromethyl)cyclohexyl]amino]piperidin-1-yl]acetamide
CID 64759422
N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]morpholine-4-sulfonamide
CID 95266419
2-amino-N-[2-oxo-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]acetamide
CID 60849623

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-[3-(trifluoromethyl)cyclohexyl]acetamide?
The IUPAC name of 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-[3-(trifluoromethyl)cyclohexyl]acetamide (CID 78842077) is 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-[3-(trifluoromethyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-[3-(trifluoromethyl)cyclohexyl]acetamide?
The canonical SMILES for 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-[3-(trifluoromethyl)cyclohexyl]acetamide is O=C(CN1CCN(CC(=O)N2CCOCC2)CC1)NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-[3-(trifluoromethyl)cyclohexyl]acetamide?
The InChIKey is LLYDYJHQPDHDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31F3N4O3/c20-19(21,22)15-2-1-3-16(12-15)23-17(27)13-24-4-6-25(7-5-24)14-18(28)26-8-10-29-11-9-26/h15-16H,1-14H2,(H,23,27).
What are the key properties of 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-[3-(trifluoromethyl)cyclohexyl]acetamide?
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-[3-(trifluoromethyl)cyclohexyl]acetamide has a molecular weight of 420.48 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-[3-(trifluoromethyl)cyclohexyl]acetamide is sourced from PubChem (CID 78842077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).