1-(4-aminopentanoyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C15H26F3N3O2 — CID 120563518

IUPAC1-(4-aminopentanoyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)C1CCCN(C(=O)CCC(C)N)C1
InChIInChI=1S/C15H26F3N3O2/c1-3-20(10-15(16,17)18)14(23)12-5-4-8-21(9-12)13(22)7-6-11(2)19/h11-12H,3-10,19H2,1-2H3
InChIKeyJCGYBALCUNEDFP-UHFFFAOYSA-N
MW337.39 g/mol
LogP1.76
Rot. Bonds6

About 1-(4-aminopentanoyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

1-(4-aminopentanoyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 120563518) has the molecular formula C15H26F3N3O2 and a molecular weight of 337.39 g/mol. Its IUPAC name is 1-(4-aminopentanoyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-aminopentanoyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID120563518
Molecular FormulaC15H26F3N3O2
Molecular Weight337.39 g/mol
Exact Mass337.20
IUPAC Name1-(4-aminopentanoyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)C1CCCN(C(=O)CCC(C)N)C1
InChIInChI=1S/C15H26F3N3O2/c1-3-20(10-15(16,17)18)14(23)12-5-4-8-21(9-12)13(22)7-6-11(2)19/h11-12H,3-10,19H2,1-2H3
InChIKeyJCGYBALCUNEDFP-UHFFFAOYSA-N
XLogP1.76
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[(1R,2R)-2-aminocyclopentanecarbonyl]-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 129434566
N-[2-(dimethylamino)-2-oxoethyl]-1-propanoyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 87025475
1-(4-aminopentanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 120561824
1-(4-aminopentanoyl)-N-methylpiperidine-3-carboxamide;hydrochloride
CID 120562628
N-ethyl-1-(1,3-thiazolidine-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;hydrochloride
CID 119336893
3-N-(2-hydroxyethyl)-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide
CID 103750590
N-ethyl-1-[(2R,3S)-2-methylmorpholine-3-carbonyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 120935510
1-(2-chlorofuran-3-carbonyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 136536554
(3R)-N-ethyl-1-[(3S,5R)-5-methyl-2-oxooxolan-3-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 129424922
N-(3-amino-4-methylpentyl)-1-butanoyl-N-methylpiperidine-3-carboxamide
CID 119660200
4-amino-1-(3-methoxypiperidin-1-yl)pentan-1-one
CID 102957567
2-[4-(4-aminopentanoyl)-1,4-diazepan-1-yl]-N,N-diethylacetamide
CID 120564514

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopentanoyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-aminopentanoyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 120563518) is 1-(4-aminopentanoyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-aminopentanoyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-aminopentanoyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is CCN(CC(F)(F)F)C(=O)C1CCCN(C(=O)CCC(C)N)C1.
What is the InChIKey of 1-(4-aminopentanoyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is JCGYBALCUNEDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3N3O2/c1-3-20(10-15(16,17)18)14(23)12-5-4-8-21(9-12)13(22)7-6-11(2)19/h11-12H,3-10,19H2,1-2H3.
What are the key properties of 1-(4-aminopentanoyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
1-(4-aminopentanoyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 337.39 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopentanoyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 120563518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).