1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one

C18H23F3N4O4 — CID 55507123

IUPAC1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESO=C(CN1CCOCC1)N1CCN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)CC1
InChIInChI=1S/C18H23F3N4O4/c19-18(20,21)14-1-2-15(26)25(11-14)13-17(28)24-5-3-23(4-6-24)16(27)12-22-7-9-29-10-8-22/h1-2,11H,3-10,12-13H2
InChIKeyNMNZLSRKUPFUDW-UHFFFAOYSA-N
MW416.40 g/mol
LogP-0.13
Rot. Bonds4

About 1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one

1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 55507123) has the molecular formula C18H23F3N4O4 and a molecular weight of 416.40 g/mol. Its IUPAC name is 1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID55507123
Molecular FormulaC18H23F3N4O4
Molecular Weight416.40 g/mol
Exact Mass416.17
IUPAC Name1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESO=C(CN1CCOCC1)N1CCN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)CC1
InChIInChI=1S/C18H23F3N4O4/c19-18(20,21)14-1-2-15(26)25(11-14)13-17(28)24-5-3-23(4-6-24)16(27)12-22-7-9-29-10-8-22/h1-2,11H,3-10,12-13H2
InChIKeyNMNZLSRKUPFUDW-UHFFFAOYSA-N
XLogP-0.13
TPSA75.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.40
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one (CID 55507123) is 1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one is O=C(CN1CCOCC1)N1CCN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)CC1.
What is the InChIKey of 1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is NMNZLSRKUPFUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N4O4/c19-18(20,21)14-1-2-15(26)25(11-14)13-17(28)24-5-3-23(4-6-24)16(27)12-22-7-9-29-10-8-22/h1-2,11H,3-10,12-13H2.
What are the key properties of 1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 416.40 g/mol, XLogP of -0.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 55507123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).