N-(2-morpholin-4-ylethyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide

C14H22F3N3O3 — CID 110344195

IUPACN-(2-morpholin-4-ylethyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)C1CCCN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C14H22F3N3O3/c15-14(16,17)13(22)20-4-1-2-11(10-20)12(21)18-3-5-19-6-8-23-9-7-19/h11H,1-10H2,(H,18,21)
InChIKeyAWYYNPQBBCUQOP-UHFFFAOYSA-N
MW337.34 g/mol
LogP0.24
Rot. Bonds4

About N-(2-morpholin-4-ylethyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide

N-(2-morpholin-4-ylethyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide (PubChem CID 110344195) has the molecular formula C14H22F3N3O3 and a molecular weight of 337.34 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
PubChem CID110344195
Molecular FormulaC14H22F3N3O3
Molecular Weight337.34 g/mol
Exact Mass337.16
IUPAC NameN-(2-morpholin-4-ylethyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)C1CCCN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C14H22F3N3O3/c15-14(16,17)13(22)20-4-1-2-11(10-20)12(21)18-3-5-19-6-8-23-9-7-19/h11H,1-10H2,(H,18,21)
InChIKeyAWYYNPQBBCUQOP-UHFFFAOYSA-N
XLogP0.24
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide (CID 110344195) is N-(2-morpholin-4-ylethyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide is O=C(NCCN1CCOCC1)C1CCCN(C(=O)C(F)(F)F)C1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide?
The InChIKey is AWYYNPQBBCUQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3O3/c15-14(16,17)13(22)20-4-1-2-11(10-20)12(21)18-3-5-19-6-8-23-9-7-19/h11H,1-10H2,(H,18,21).
What are the key properties of N-(2-morpholin-4-ylethyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide?
N-(2-morpholin-4-ylethyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide has a molecular weight of 337.34 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 110344195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).