[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]carbamic acid

C18H22F3N3O4 — CID 66761950

IUPAC[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]carbamic acid
SMILESO=C(O)NC1CC(c2ccc(C(F)(F)F)cc2)CN(C(=O)N2CCOCC2)C1
InChIInChI=1S/C18H22F3N3O4/c19-18(20,21)14-3-1-12(2-4-14)13-9-15(22-16(25)26)11-24(10-13)17(27)23-5-7-28-8-6-23/h1-4,13,15,22H,5-11H2,(H,25,26)
InChIKeyGLKNKGQLLQVPCN-UHFFFAOYSA-N
MW401.39 g/mol
LogP2.58
Rot. Bonds2

About [1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]carbamic acid

[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]carbamic acid (PubChem CID 66761950) has the molecular formula C18H22F3N3O4 and a molecular weight of 401.39 g/mol. Its IUPAC name is [1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]carbamic acid
PubChem CID66761950
Molecular FormulaC18H22F3N3O4
Molecular Weight401.39 g/mol
Exact Mass401.16
IUPAC Name[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]carbamic acid
SMILESO=C(O)NC1CC(c2ccc(C(F)(F)F)cc2)CN(C(=O)N2CCOCC2)C1
InChIInChI=1S/C18H22F3N3O4/c19-18(20,21)14-3-1-12(2-4-14)13-9-15(22-16(25)26)11-24(10-13)17(27)23-5-7-28-8-6-23/h1-4,13,15,22H,5-11H2,(H,25,26)
InChIKeyGLKNKGQLLQVPCN-UHFFFAOYSA-N
XLogP2.58
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.39
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]carbamic acid?
The IUPAC name of [1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]carbamic acid (CID 66761950) is [1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]carbamic acid.
What is the SMILES notation for [1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]carbamic acid?
The canonical SMILES for [1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]carbamic acid is O=C(O)NC1CC(c2ccc(C(F)(F)F)cc2)CN(C(=O)N2CCOCC2)C1.
What is the InChIKey of [1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]carbamic acid?
The InChIKey is GLKNKGQLLQVPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3O4/c19-18(20,21)14-3-1-12(2-4-14)13-9-15(22-16(25)26)11-24(10-13)17(27)23-5-7-28-8-6-23/h1-4,13,15,22H,5-11H2,(H,25,26).
What are the key properties of [1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]carbamic acid?
[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]carbamic acid has a molecular weight of 401.39 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]carbamic acid is sourced from PubChem (CID 66761950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).