N-[(4-methylmorpholin-2-yl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide

C13H22F3N3O2 — CID 114908915

IUPACN-[(4-methylmorpholin-2-yl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESCN1CCOC(CNC(=O)C2CCC(C(F)(F)F)CN2)C1
InChIInChI=1S/C13H22F3N3O2/c1-19-4-5-21-10(8-19)7-18-12(20)11-3-2-9(6-17-11)13(14,15)16/h9-11,17H,2-8H2,1H3,(H,18,20)
InChIKeySVKHWOIBGYIVDR-UHFFFAOYSA-N
MW309.33 g/mol
LogP0.36
Rot. Bonds3

About N-[(4-methylmorpholin-2-yl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide

N-[(4-methylmorpholin-2-yl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide (PubChem CID 114908915) has the molecular formula C13H22F3N3O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-[(4-methylmorpholin-2-yl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methylmorpholin-2-yl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide
PubChem CID114908915
Molecular FormulaC13H22F3N3O2
Molecular Weight309.33 g/mol
Exact Mass309.17
IUPAC NameN-[(4-methylmorpholin-2-yl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESCN1CCOC(CNC(=O)C2CCC(C(F)(F)F)CN2)C1
InChIInChI=1S/C13H22F3N3O2/c1-19-4-5-21-10(8-19)7-18-12(20)11-3-2-9(6-17-11)13(14,15)16/h9-11,17H,2-8H2,1H3,(H,18,20)
InChIKeySVKHWOIBGYIVDR-UHFFFAOYSA-N
XLogP0.36
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(4-methylmorpholin-2-yl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-methylmorpholin-2-yl)methyl]azepane-2-carboxamide
CID 79082476
N-[(4-methylmorpholin-2-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 79081953
N-[(3-methylcyclopentyl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide
CID 107413534
4-methyl-N-[(4-methylmorpholin-2-yl)methyl]pyrrolidine-3-carboxamide
CID 79083173
N-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908963
4-amino-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide
CID 79081947
N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide
CID 170608678
N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 69087754
5-methyl-N-[(4-methylmorpholin-2-yl)methyl]piperidine-3-carboxamide
CID 79071217
methyl 2-[(4-methylmorpholin-2-yl)methylamino]-2-oxoacetate
CID 112617409
2-(azetidin-3-yl)-N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 79083364
2-[(4-methylmorpholin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 113361141

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide?
The IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide (CID 114908915) is N-[(4-methylmorpholin-2-yl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide.
What is the SMILES notation for N-[(4-methylmorpholin-2-yl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide?
The canonical SMILES for N-[(4-methylmorpholin-2-yl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide is CN1CCOC(CNC(=O)C2CCC(C(F)(F)F)CN2)C1.
What is the InChIKey of N-[(4-methylmorpholin-2-yl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide?
The InChIKey is SVKHWOIBGYIVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3O2/c1-19-4-5-21-10(8-19)7-18-12(20)11-3-2-9(6-17-11)13(14,15)16/h9-11,17H,2-8H2,1H3,(H,18,20).
What are the key properties of N-[(4-methylmorpholin-2-yl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide?
N-[(4-methylmorpholin-2-yl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylmorpholin-2-yl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide is sourced from PubChem (CID 114908915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).