3-N-(2-hydroxyethyl)-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide

C11H18F3N3O3 — CID 103750590

IUPAC3-N-(2-hydroxyethyl)-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide
SMILESNC(=O)N1CCCC(C(=O)N(CCO)CC(F)(F)F)C1
InChIInChI=1S/C11H18F3N3O3/c12-11(13,14)7-17(4-5-18)9(19)8-2-1-3-16(6-8)10(15)20/h8,18H,1-7H2,(H2,15,20)
InChIKeyQQKNSVMCIAYYNC-UHFFFAOYSA-N
MW297.28 g/mol
LogP0.16
Rot. Bonds4

About 3-N-(2-hydroxyethyl)-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide

3-N-(2-hydroxyethyl)-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide (PubChem CID 103750590) has the molecular formula C11H18F3N3O3 and a molecular weight of 297.28 g/mol. Its IUPAC name is 3-N-(2-hydroxyethyl)-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(2-hydroxyethyl)-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide
PubChem CID103750590
Molecular FormulaC11H18F3N3O3
Molecular Weight297.28 g/mol
Exact Mass297.13
IUPAC Name3-N-(2-hydroxyethyl)-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide
SMILESNC(=O)N1CCCC(C(=O)N(CCO)CC(F)(F)F)C1
InChIInChI=1S/C11H18F3N3O3/c12-11(13,14)7-17(4-5-18)9(19)8-2-1-3-16(6-8)10(15)20/h8,18H,1-7H2,(H2,15,20)
InChIKeyQQKNSVMCIAYYNC-UHFFFAOYSA-N
XLogP0.16
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropanecarbonyl)-N,N-bis(2-hydroxyethyl)piperidine-3-carboxamide
CID 61233609
3-N-(2-hydroxyethyl)-1-N-[4-(2-methyl-1,3-dioxolan-2-yl)butyl]-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide
CID 166229776
3-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 107482291
3-N,3-N-bis(2-hydroxyethyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 61233623
3-(aminomethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 107487353
2-[(1-carbamoylpiperidine-3-carbonyl)-propylamino]acetic acid
CID 61007347
2-[(1-carbamoylpiperidine-3-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 103802821
1-cyclopropyl-N-(2-hydroxyethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 103915447
(3R)-1-[(1R,2R)-2-aminocyclopentanecarbonyl]-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 129434566
1-(4-aminopentanoyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 120563518
N-[2-(dimethylamino)-2-oxoethyl]-1-propanoyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 87025475
3-N-(2,2,2-trifluoroethoxy)piperidine-1,3-dicarboxamide
CID 81340627

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-hydroxyethyl)-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-(2-hydroxyethyl)-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide (CID 103750590) is 3-N-(2-hydroxyethyl)-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(2-hydroxyethyl)-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-(2-hydroxyethyl)-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide is NC(=O)N1CCCC(C(=O)N(CCO)CC(F)(F)F)C1.
What is the InChIKey of 3-N-(2-hydroxyethyl)-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide?
The InChIKey is QQKNSVMCIAYYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O3/c12-11(13,14)7-17(4-5-18)9(19)8-2-1-3-16(6-8)10(15)20/h8,18H,1-7H2,(H2,15,20).
What are the key properties of 3-N-(2-hydroxyethyl)-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide?
3-N-(2-hydroxyethyl)-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide has a molecular weight of 297.28 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-hydroxyethyl)-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 103750590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).