[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-morpholin-4-ylmethanone

C16H19ClF3N3O2 — CID 2766908

IUPAC[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)N1CCOCC1
InChIInChI=1S/C16H19ClF3N3O2/c17-13-9-12(16(18,19)20)10-21-14(13)22-3-1-11(2-4-22)15(24)23-5-7-25-8-6-23/h9-11H,1-8H2
InChIKeyYURBTLDOILEQHJ-UHFFFAOYSA-N
MW377.79 g/mol
LogP2.83
Rot. Bonds2

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

[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 2766908) has the molecular formula C16H19ClF3N3O2 and a molecular weight of 377.79 g/mol. Its IUPAC name is [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-morpholin-4-ylmethanone
PubChem CID2766908
Molecular FormulaC16H19ClF3N3O2
Molecular Weight377.79 g/mol
Exact Mass377.11
IUPAC Name[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)N1CCOCC1
InChIInChI=1S/C16H19ClF3N3O2/c17-13-9-12(16(18,19)20)10-21-14(13)22-3-1-11(2-4-22)15(24)23-5-7-25-8-6-23/h9-11H,1-8H2
InChIKeyYURBTLDOILEQHJ-UHFFFAOYSA-N
XLogP2.83
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.79
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-morpholin-4-ylmethanone (CID 2766908) is [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-morpholin-4-ylmethanone is O=C(C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)N1CCOCC1.
What is the InChIKey of [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is YURBTLDOILEQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClF3N3O2/c17-13-9-12(16(18,19)20)10-21-14(13)22-3-1-11(2-4-22)15(24)23-5-7-25-8-6-23/h9-11H,1-8H2.
What are the key properties of [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-morpholin-4-ylmethanone?
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 377.79 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 2766908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).