(2S)-1-morpholin-4-yl-2-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]propan-1-one

C18H25F3N4O2 — CID 164637608

IUPAC(2S)-1-morpholin-4-yl-2-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]propan-1-one
SMILESC[C@@H](C(=O)N1CCOCC1)N1CCN(Cc2cccnc2C(F)(F)F)CC1
InChIInChI=1S/C18H25F3N4O2/c1-14(17(26)25-9-11-27-12-10-25)24-7-5-23(6-8-24)13-15-3-2-4-22-16(15)18(19,20)21/h2-4,14H,5-13H2,1H3/t14-/m0/s1
InChIKeyIRHGMKQIBQMELB-AWEZNQCLSA-N
MW386.42 g/mol
LogP1.47
Rot. Bonds4

About (2S)-1-morpholin-4-yl-2-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]propan-1-one

(2S)-1-morpholin-4-yl-2-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]propan-1-one (PubChem CID 164637608) has the molecular formula C18H25F3N4O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is (2S)-1-morpholin-4-yl-2-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-1-morpholin-4-yl-2-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]propan-1-one
PubChem CID164637608
Molecular FormulaC18H25F3N4O2
Molecular Weight386.42 g/mol
Exact Mass386.19
IUPAC Name(2S)-1-morpholin-4-yl-2-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]propan-1-one
SMILESC[C@@H](C(=O)N1CCOCC1)N1CCN(Cc2cccnc2C(F)(F)F)CC1
InChIInChI=1S/C18H25F3N4O2/c1-14(17(26)25-9-11-27-12-10-25)24-7-5-23(6-8-24)13-15-3-2-4-22-16(15)18(19,20)21/h2-4,14H,5-13H2,1H3/t14-/m0/s1
InChIKeyIRHGMKQIBQMELB-AWEZNQCLSA-N
XLogP1.47
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-morpholin-4-yl-2-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]propan-1-one?
The IUPAC name of (2S)-1-morpholin-4-yl-2-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]propan-1-one (CID 164637608) is (2S)-1-morpholin-4-yl-2-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-1-morpholin-4-yl-2-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for (2S)-1-morpholin-4-yl-2-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]propan-1-one is C[C@@H](C(=O)N1CCOCC1)N1CCN(Cc2cccnc2C(F)(F)F)CC1.
What is the InChIKey of (2S)-1-morpholin-4-yl-2-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]propan-1-one?
The InChIKey is IRHGMKQIBQMELB-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H25F3N4O2/c1-14(17(26)25-9-11-27-12-10-25)24-7-5-23(6-8-24)13-15-3-2-4-22-16(15)18(19,20)21/h2-4,14H,5-13H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-1-morpholin-4-yl-2-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]propan-1-one?
(2S)-1-morpholin-4-yl-2-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]propan-1-one has a molecular weight of 386.42 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-morpholin-4-yl-2-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 164637608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).