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

C16H19F4N3O2 — CID 165431893

IUPAC[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCN(c2ncc(C(F)(F)F)cc2F)CC1)N1CCOCC1
InChIInChI=1S/C16H19F4N3O2/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
InChIKeyXSQUTRWLPXWGHF-UHFFFAOYSA-N
MW361.34 g/mol
LogP2.31
Rot. Bonds2

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

[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 165431893) has the molecular formula C16H19F4N3O2 and a molecular weight of 361.34 g/mol. Its IUPAC name is [1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-morpholin-4-ylmethanone
PubChem CID165431893
Molecular FormulaC16H19F4N3O2
Molecular Weight361.34 g/mol
Exact Mass361.14
IUPAC Name[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCN(c2ncc(C(F)(F)F)cc2F)CC1)N1CCOCC1
InChIInChI=1S/C16H19F4N3O2/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
InChIKeyXSQUTRWLPXWGHF-UHFFFAOYSA-N
XLogP2.31
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.34
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 2766908
1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid
CID 170716685
morpholin-4-yl-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone
CID 165434630
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-[4-(piperidine-1-carbonyl)piperidin-1-yl]methanone
CID 112767126
3-fluoro-2-piperidin-1-yl-5-(trifluoromethyl)pyridine
CID 59514574
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-(4-methoxyazepan-1-yl)methanone
CID 155947936
4-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]morpholine
CID 97180514
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 44756867
morpholin-4-yl-[1-[1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonyl]piperidin-4-yl]methanone
CID 32651661
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[1-(4-fluorobenzoyl)piperidin-4-yl]methanone
CID 55345059
2-[4-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]piperazin-1-yl]propanamide
CID 86955164
1-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]imidazolidin-2-one
CID 154464385

Frequently Asked Questions

What is the IUPAC name of [1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-morpholin-4-ylmethanone (CID 165431893) is [1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-morpholin-4-ylmethanone is O=C(C1CCN(c2ncc(C(F)(F)F)cc2F)CC1)N1CCOCC1.
What is the InChIKey of [1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is XSQUTRWLPXWGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F4N3O2/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-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-morpholin-4-ylmethanone?
[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 361.34 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 165431893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).