(2R,3S)-3-amino-N-ethyl-2-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]piperidine-1-carboxamide

C16H28F3N3O2 — CID 166854308

IUPAC(2R,3S)-3-amino-N-ethyl-2-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC[C@H](N)[C@@H]1COC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C16H28F3N3O2/c1-2-21-15(23)22-9-3-4-13(20)14(22)10-24-12-7-5-11(6-8-12)16(17,18)19/h11-14H,2-10,20H2,1H3,(H,21,23)/t11?,12?,13-,14-/m0/s1
InChIKeyCEWAULRVRUSANS-HOAMVYINSA-N
MW351.41 g/mol
LogP2.65
Rot. Bonds4

About (2R,3S)-3-amino-N-ethyl-2-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]piperidine-1-carboxamide

(2R,3S)-3-amino-N-ethyl-2-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]piperidine-1-carboxamide (PubChem CID 166854308) has the molecular formula C16H28F3N3O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is (2R,3S)-3-amino-N-ethyl-2-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R,3S)-3-amino-N-ethyl-2-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]piperidine-1-carboxamide
PubChem CID166854308
Molecular FormulaC16H28F3N3O2
Molecular Weight351.41 g/mol
Exact Mass351.21
IUPAC Name(2R,3S)-3-amino-N-ethyl-2-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC[C@H](N)[C@@H]1COC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C16H28F3N3O2/c1-2-21-15(23)22-9-3-4-13(20)14(22)10-24-12-7-5-11(6-8-12)16(17,18)19/h11-14H,2-10,20H2,1H3,(H,21,23)/t11?,12?,13-,14-/m0/s1
InChIKeyCEWAULRVRUSANS-HOAMVYINSA-N
XLogP2.65
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R,3S)-3-amino-N-ethyl-2-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]piperidine-1-carboxamide with MolForge

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Related Compounds

US10287305, Example 107
CID 130310179
N-(1,1-difluorobutan-2-yl)-2-methyl-1-oxa-4-azaspiro[5.5]undecane-4-carboxamide
CID 132388008
N-[(4,4-difluorocyclohexyl)methyl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide
CID 136540520
2-[(2S)-1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]morpholine-4-carboxamide
CID 69469520
N-[(2S)-1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]morpholine-4-carboxamide
CID 69469521
2-[1-(4-Fluorocyclohexyl)-3-(methylamino)propan-2-yl]morpholine-4-carboxamide
CID 69469523
(2R,3S)-N-ethyl-3-(methylsulfanylamino)-2-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]piperidine-1-carboxamide
CID 130336343
[1-(Ethylcarbamoyl)-2-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]piperidin-3-yl]azanium
CID 163481423
1-[(2R,3S)-3-amino-2-[[4-(difluoromethyl)cyclohexyl]oxymethyl]piperidin-1-yl]ethanone
CID 166854181
(2R,3S)-3-amino-2-[(4-propan-2-ylcyclohexyl)oxymethyl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 166854199
1-[(2R,3S)-3-amino-2-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]piperidin-1-yl]ethanone
CID 166854367
3-amino-2-[(4,4-difluorocyclohexyl)oxymethyl]-N-ethylpiperidine-1-carboxamide
CID 166854370

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-amino-N-ethyl-2-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]piperidine-1-carboxamide?
The IUPAC name of (2R,3S)-3-amino-N-ethyl-2-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]piperidine-1-carboxamide (CID 166854308) is (2R,3S)-3-amino-N-ethyl-2-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]piperidine-1-carboxamide.
What is the SMILES notation for (2R,3S)-3-amino-N-ethyl-2-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]piperidine-1-carboxamide?
The canonical SMILES for (2R,3S)-3-amino-N-ethyl-2-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]piperidine-1-carboxamide is CCNC(=O)N1CCC[C@H](N)[C@@H]1COC1CCC(C(F)(F)F)CC1.
What is the InChIKey of (2R,3S)-3-amino-N-ethyl-2-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]piperidine-1-carboxamide?
The InChIKey is CEWAULRVRUSANS-HOAMVYINSA-N. The full InChI is InChI=1S/C16H28F3N3O2/c1-2-21-15(23)22-9-3-4-13(20)14(22)10-24-12-7-5-11(6-8-12)16(17,18)19/h11-14H,2-10,20H2,1H3,(H,21,23)/t11?,12?,13-,14-/m0/s1.
What are the key properties of (2R,3S)-3-amino-N-ethyl-2-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]piperidine-1-carboxamide?
(2R,3S)-3-amino-N-ethyl-2-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]piperidine-1-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-amino-N-ethyl-2-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]piperidine-1-carboxamide is sourced from PubChem (CID 166854308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).