N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide

C19H25F3N4O3 — CID 112827403

IUPACN-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
SMILESCC1CN(c2ccc(CNC(=O)C3CCC(C(F)(F)F)NC3=O)cn2)CC(C)O1
InChIInChI=1S/C19H25F3N4O3/c1-11-9-26(10-12(2)29-11)16-6-3-13(7-23-16)8-24-17(27)14-4-5-15(19(20,21)22)25-18(14)28/h3,6-7,11-12,14-15H,4-5,8-10H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyOMAOGHSEXJULGT-UHFFFAOYSA-N
MW414.43 g/mol
LogP1.77
Rot. Bonds4

About N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide

N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide (PubChem CID 112827403) has the molecular formula C19H25F3N4O3 and a molecular weight of 414.43 g/mol. Its IUPAC name is N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
PubChem CID112827403
Molecular FormulaC19H25F3N4O3
Molecular Weight414.43 g/mol
Exact Mass414.19
IUPAC NameN-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
SMILESCC1CN(c2ccc(CNC(=O)C3CCC(C(F)(F)F)NC3=O)cn2)CC(C)O1
InChIInChI=1S/C19H25F3N4O3/c1-11-9-26(10-12(2)29-11)16-6-3-13(7-23-16)8-24-17(27)14-4-5-15(19(20,21)22)25-18(14)28/h3,6-7,11-12,14-15H,4-5,8-10H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyOMAOGHSEXJULGT-UHFFFAOYSA-N
XLogP1.77
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide
CID 55710371
(2R,3S)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120938951
2-(cyclopropylmethylamino)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]acetamide
CID 119846444
(2S)-2-amino-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119846441
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(9-oxoacridin-10-yl)acetamide
CID 46476743
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 86974516
1-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-N-methylmethanamine
CID 104959494
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-methylsulfonylbenzamide
CID 55709939
1-[[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 100853715
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-phenylpropanamide
CID 55710399
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 46487125
1-(4-chlorophenyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 55839591

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
The IUPAC name of N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide (CID 112827403) is N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
The canonical SMILES for N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide is CC1CN(c2ccc(CNC(=O)C3CCC(C(F)(F)F)NC3=O)cn2)CC(C)O1.
What is the InChIKey of N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
The InChIKey is OMAOGHSEXJULGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N4O3/c1-11-9-26(10-12(2)29-11)16-6-3-13(7-23-16)8-24-17(27)14-4-5-15(19(20,21)22)25-18(14)28/h3,6-7,11-12,14-15H,4-5,8-10H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide has a molecular weight of 414.43 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide is sourced from PubChem (CID 112827403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).