1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-morpholin-4-ylethanone

C16H20ClF3N4O2 — CID 4564333

IUPAC1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C16H20ClF3N4O2/c17-13-9-12(16(18,19)20)10-21-15(13)24-3-1-23(2-4-24)14(25)11-22-5-7-26-8-6-22/h9-10H,1-8,11H2
InChIKeyQCZAYUPOYSRETH-UHFFFAOYSA-N
MW392.81 g/mol
LogP1.73
Rot. Bonds3

About 1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-morpholin-4-ylethanone

1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 4564333) has the molecular formula C16H20ClF3N4O2 and a molecular weight of 392.81 g/mol. Its IUPAC name is 1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-morpholin-4-ylethanone
PubChem CID4564333
Molecular FormulaC16H20ClF3N4O2
Molecular Weight392.81 g/mol
Exact Mass392.12
IUPAC Name1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C16H20ClF3N4O2/c17-13-9-12(16(18,19)20)10-21-15(13)24-3-1-23(2-4-24)14(25)11-22-5-7-26-8-6-22/h9-10H,1-8,11H2
InChIKeyQCZAYUPOYSRETH-UHFFFAOYSA-N
XLogP1.73
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.81
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-morpholin-4-ylethanone (CID 4564333) is 1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-morpholin-4-ylethanone is O=C(CN1CCOCC1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1.
What is the InChIKey of 1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is QCZAYUPOYSRETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClF3N4O2/c17-13-9-12(16(18,19)20)10-21-15(13)24-3-1-23(2-4-24)14(25)11-22-5-7-26-8-6-22/h9-10H,1-8,11H2.
What are the key properties of 1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-morpholin-4-ylethanone?
1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 392.81 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 4564333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).