3-(hydroxymethyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]piperidine-1-carboxamide

C13H24F3N3O2 — CID 110896465

IUPAC3-(hydroxymethyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]piperidine-1-carboxamide
SMILESCN(CCCNC(=O)N1CCCC(CO)C1)CC(F)(F)F
InChIInChI=1S/C13H24F3N3O2/c1-18(10-13(14,15)16)6-3-5-17-12(21)19-7-2-4-11(8-19)9-20/h11,20H,2-10H2,1H3,(H,17,21)
InChIKeyUYTLTIFODLAGHN-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.28
Rot. Bonds6

About 3-(hydroxymethyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]piperidine-1-carboxamide

3-(hydroxymethyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]piperidine-1-carboxamide (PubChem CID 110896465) has the molecular formula C13H24F3N3O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]piperidine-1-carboxamide
PubChem CID110896465
Molecular FormulaC13H24F3N3O2
Molecular Weight311.35 g/mol
Exact Mass311.18
IUPAC Name3-(hydroxymethyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]piperidine-1-carboxamide
SMILESCN(CCCNC(=O)N1CCCC(CO)C1)CC(F)(F)F
InChIInChI=1S/C13H24F3N3O2/c1-18(10-13(14,15)16)6-3-5-17-12(21)19-7-2-4-11(8-19)9-20/h11,20H,2-10H2,1H3,(H,17,21)
InChIKeyUYTLTIFODLAGHN-UHFFFAOYSA-N
XLogP1.28
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(hydroxymethyl)-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 110311485
3-(hydroxymethyl)-N-[3-(4-methylpiperazin-1-yl)propyl]piperidine-1-carboxamide
CID 172436909
3-(hydroxymethyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide
CID 75506486
(5S)-N-butyl-3-(difluoromethyl)-5-hydroxypiperidine-1-carboxamide
CID 126716147
3-(difluoromethyl)-5-hydroxy-N-propylpiperidine-1-carboxamide
CID 126716201
N-butyl-3-(difluoromethyl)-5-hydroxypiperidine-1-carboxamide
CID 130283303
(3,3-difluoroazetidin-1-yl)-[(4S)-4-(dimethylaminosulfanylamino)-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 174325924
4-hydroxy-N-(1-methoxy-4-methylpentan-3-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 75443058
3-(1-Hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide
CID 83992272
3-(2,2-Difluoroethylamino)-5-(1-hydroxyethyl)piperidine-1-carboxamide
CID 83992966
3-(hydroxymethyl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide
CID 86817563
3-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide
CID 91641743

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]piperidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]piperidine-1-carboxamide (CID 110896465) is 3-(hydroxymethyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]piperidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]piperidine-1-carboxamide is CN(CCCNC(=O)N1CCCC(CO)C1)CC(F)(F)F.
What is the InChIKey of 3-(hydroxymethyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]piperidine-1-carboxamide?
The InChIKey is UYTLTIFODLAGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N3O2/c1-18(10-13(14,15)16)6-3-5-17-12(21)19-7-2-4-11(8-19)9-20/h11,20H,2-10H2,1H3,(H,17,21).
What are the key properties of 3-(hydroxymethyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]piperidine-1-carboxamide?
3-(hydroxymethyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]piperidine-1-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]piperidine-1-carboxamide is sourced from PubChem (CID 110896465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).