N-ethyl-N-(3-hydroxypropyl)-5-(trifluoromethyl)piperidine-2-carboxamide

C12H21F3N2O2 — CID 114909001

IUPACN-ethyl-N-(3-hydroxypropyl)-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESCCN(CCCO)C(=O)C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C12H21F3N2O2/c1-2-17(6-3-7-18)11(19)10-5-4-9(8-16-10)12(13,14)15/h9-10,16,18H,2-8H2,1H3
InChIKeyVYTIFVNDJHMOAW-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.15
Rot. Bonds5

About N-ethyl-N-(3-hydroxypropyl)-5-(trifluoromethyl)piperidine-2-carboxamide

N-ethyl-N-(3-hydroxypropyl)-5-(trifluoromethyl)piperidine-2-carboxamide (PubChem CID 114909001) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is N-ethyl-N-(3-hydroxypropyl)-5-(trifluoromethyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(3-hydroxypropyl)-5-(trifluoromethyl)piperidine-2-carboxamide
PubChem CID114909001
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC NameN-ethyl-N-(3-hydroxypropyl)-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESCCN(CCCO)C(=O)C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C12H21F3N2O2/c1-2-17(6-3-7-18)11(19)10-5-4-9(8-16-10)12(13,14)15/h9-10,16,18H,2-8H2,1H3
InChIKeyVYTIFVNDJHMOAW-UHFFFAOYSA-N
XLogP1.15
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Hydroxymethyl)-3,6-diisobutylpiperazine-2,5-dione
CID 245173
2-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 53619835
(4S,6S)-6-[4-(difluoromethyl)-4-hydroxypiperidine-1-carbonyl]-4-methylpiperidin-2-one
CID 137975886
(2R,4R)-N-ethyl-4-methylpiperidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 67812892
5-[[2-[4-(difluoromethyl)piperidin-1-yl]acetyl]amino]-2-(4-hydroxypiperidin-1-yl)-N-propan-2-ylhexanamide
CID 146513543
(2S)-N-(2-fluoro-3-hydroxypropyl)-1-propan-2-ylpiperidine-2-carboxamide
CID 170128718
(1,3-Dihydroxypropyl)-6-(2-methylpropyl)piperazine-2,5-dione
CID 133188424
2-Amino-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-1-one
CID 24708951
N-[1-oxo-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]propan-2-yl]cyclopentanecarboxamide
CID 48425033
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide
CID 54871891
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide
CID 54874245
2-Amino-1-[3-(trifluoromethyl)piperidin-1-yl]hexan-1-one
CID 54936329

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-hydroxypropyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The IUPAC name of N-ethyl-N-(3-hydroxypropyl)-5-(trifluoromethyl)piperidine-2-carboxamide (CID 114909001) is N-ethyl-N-(3-hydroxypropyl)-5-(trifluoromethyl)piperidine-2-carboxamide.
What is the SMILES notation for N-ethyl-N-(3-hydroxypropyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The canonical SMILES for N-ethyl-N-(3-hydroxypropyl)-5-(trifluoromethyl)piperidine-2-carboxamide is CCN(CCCO)C(=O)C1CCC(C(F)(F)F)CN1.
What is the InChIKey of N-ethyl-N-(3-hydroxypropyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The InChIKey is VYTIFVNDJHMOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-2-17(6-3-7-18)11(19)10-5-4-9(8-16-10)12(13,14)15/h9-10,16,18H,2-8H2,1H3.
What are the key properties of N-ethyl-N-(3-hydroxypropyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
N-ethyl-N-(3-hydroxypropyl)-5-(trifluoromethyl)piperidine-2-carboxamide has a molecular weight of 282.31 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-hydroxypropyl)-5-(trifluoromethyl)piperidine-2-carboxamide is sourced from PubChem (CID 114909001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).