2-morpholin-4-yl-1-[4-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]ethanone

C16H22F3N5O3 — CID 55496711

IUPAC2-morpholin-4-yl-1-[4-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]ethanone
SMILESO=C(CN1CCOCC1)N1CCN(C(=O)Cn2ccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C16H22F3N5O3/c17-16(18,19)13-1-2-24(20-13)12-15(26)23-5-3-22(4-6-23)14(25)11-21-7-9-27-10-8-21/h1-2H,3-12H2
InChIKeyHOAUUVMMRABGLY-UHFFFAOYSA-N
MW389.38 g/mol
LogP-0.10
Rot. Bonds4

About 2-morpholin-4-yl-1-[4-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]ethanone

2-morpholin-4-yl-1-[4-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]ethanone (PubChem CID 55496711) has the molecular formula C16H22F3N5O3 and a molecular weight of 389.38 g/mol. Its IUPAC name is 2-morpholin-4-yl-1-[4-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-morpholin-4-yl-1-[4-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]ethanone
PubChem CID55496711
Molecular FormulaC16H22F3N5O3
Molecular Weight389.38 g/mol
Exact Mass389.17
IUPAC Name2-morpholin-4-yl-1-[4-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]ethanone
SMILESO=C(CN1CCOCC1)N1CCN(C(=O)Cn2ccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C16H22F3N5O3/c17-16(18,19)13-1-2-24(20-13)12-15(26)23-5-3-22(4-6-23)14(25)11-21-7-9-27-10-8-21/h1-2H,3-12H2
InChIKeyHOAUUVMMRABGLY-UHFFFAOYSA-N
XLogP-0.10
TPSA70.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-1-[4-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-morpholin-4-yl-1-[4-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]ethanone (CID 55496711) is 2-morpholin-4-yl-1-[4-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-morpholin-4-yl-1-[4-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-morpholin-4-yl-1-[4-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]ethanone is O=C(CN1CCOCC1)N1CCN(C(=O)Cn2ccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 2-morpholin-4-yl-1-[4-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]ethanone?
The InChIKey is HOAUUVMMRABGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N5O3/c17-16(18,19)13-1-2-24(20-13)12-15(26)23-5-3-22(4-6-23)14(25)11-21-7-9-27-10-8-21/h1-2H,3-12H2.
What are the key properties of 2-morpholin-4-yl-1-[4-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]ethanone?
2-morpholin-4-yl-1-[4-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]ethanone has a molecular weight of 389.38 g/mol, XLogP of -0.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-1-[4-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 55496711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).