(3R)-1-[(1R,2R)-2-aminocyclopentanecarbonyl]-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C16H26F3N3O2 — CID 129434566

IUPAC(3R)-1-[(1R,2R)-2-aminocyclopentanecarbonyl]-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H]2N)C1
InChIInChI=1S/C16H26F3N3O2/c1-2-21(10-16(17,18)19)14(23)11-5-4-8-22(9-11)15(24)12-6-3-7-13(12)20/h11-13H,2-10,20H2,1H3/t11-,12-,13-/m1/s1
InChIKeyHDCAQWPZWXWGLB-JHJVBQTASA-N
MW349.40 g/mol
LogP1.76
Rot. Bonds4

About (3R)-1-[(1R,2R)-2-aminocyclopentanecarbonyl]-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

(3R)-1-[(1R,2R)-2-aminocyclopentanecarbonyl]-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 129434566) has the molecular formula C16H26F3N3O2 and a molecular weight of 349.40 g/mol. Its IUPAC name is (3R)-1-[(1R,2R)-2-aminocyclopentanecarbonyl]-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(1R,2R)-2-aminocyclopentanecarbonyl]-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID129434566
Molecular FormulaC16H26F3N3O2
Molecular Weight349.40 g/mol
Exact Mass349.20
IUPAC Name(3R)-1-[(1R,2R)-2-aminocyclopentanecarbonyl]-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H]2N)C1
InChIInChI=1S/C16H26F3N3O2/c1-2-21(10-16(17,18)19)14(23)11-5-4-8-22(9-11)15(24)12-6-3-7-13(12)20/h11-13H,2-10,20H2,1H3/t11-,12-,13-/m1/s1
InChIKeyHDCAQWPZWXWGLB-JHJVBQTASA-N
XLogP1.76
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminopentanoyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 120563518
N-ethyl-1-(1,3-thiazolidine-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;hydrochloride
CID 119336893
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
3-N-(2-hydroxyethyl)-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide
CID 103750590
N-[2-(dimethylamino)-2-oxoethyl]-1-propanoyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 87025475
1-(cyclopropanecarbonyl)-N-(cyclopropylmethyl)-N-ethylpiperidine-3-carboxamide
CID 71931628
(2-aminocyclopentyl)-(3-propylpyrrolidin-1-yl)methanone
CID 115739353
N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 111596383
[(1R,2S)-2-aminocyclopentyl]-[(3R)-3-(ethoxymethyl)piperidin-1-yl]methanone
CID 124683875
(2-aminocyclopentyl)-(3-propoxypiperidin-1-yl)methanone
CID 64822657
(3R)-N-ethyl-1-[(3S,5R)-5-methyl-2-oxooxolan-3-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 129424922

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1R,2R)-2-aminocyclopentanecarbonyl]-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(1R,2R)-2-aminocyclopentanecarbonyl]-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 129434566) is (3R)-1-[(1R,2R)-2-aminocyclopentanecarbonyl]-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(1R,2R)-2-aminocyclopentanecarbonyl]-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(1R,2R)-2-aminocyclopentanecarbonyl]-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H]2N)C1.
What is the InChIKey of (3R)-1-[(1R,2R)-2-aminocyclopentanecarbonyl]-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is HDCAQWPZWXWGLB-JHJVBQTASA-N. The full InChI is InChI=1S/C16H26F3N3O2/c1-2-21(10-16(17,18)19)14(23)11-5-4-8-22(9-11)15(24)12-6-3-7-13(12)20/h11-13H,2-10,20H2,1H3/t11-,12-,13-/m1/s1.
What are the key properties of (3R)-1-[(1R,2R)-2-aminocyclopentanecarbonyl]-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
(3R)-1-[(1R,2R)-2-aminocyclopentanecarbonyl]-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 349.40 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(1R,2R)-2-aminocyclopentanecarbonyl]-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 129434566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).