(3S)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C10H17F3N2O2 — CID 81129484

IUPAC(3S)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C([C@H]1CCCNC1)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c11-10(12,13)7-15(4-5-16)9(17)8-2-1-3-14-6-8/h8,14,16H,1-7H2/t8-/m0/s1
InChIKeyTZZACBLHBMUVFR-QMMMGPOBSA-N
MW254.25 g/mol
LogP0.37
Rot. Bonds4

About (3S)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

(3S)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 81129484) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is (3S)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID81129484
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name(3S)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C([C@H]1CCCNC1)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c11-10(12,13)7-15(4-5-16)9(17)8-2-1-3-14-6-8/h8,14,16H,1-7H2/t8-/m0/s1
InChIKeyTZZACBLHBMUVFR-QMMMGPOBSA-N
XLogP0.37
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 2760459
N-(3-Hydroxypropyl)piperidine-3-carboxamide
CID 2769368
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 54874246
N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 54595659
1-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 71988718
3-[(Dimethylamino)carbonyl]piperidine trifluoroacetic acid salt
CID 22929373
N,N-diethyl-4,4-difluoropiperidine-3-carboxamide
CID 70879127
2-[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]-N-propan-2-ylacetamide
CID 146329737
2-[4-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]-N-propan-2-ylacetamide
CID 166764713
(3S)-3-(2,2-difluoroethylcarbamoyl)piperidine-1-carboxylic acid
CID 175043057
3-(2,2-Difluoroethylcarbamoyl)piperidine-1-carboxylic acid
CID 175043058
N-ethylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 175866368

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 81129484) is (3S)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is O=C([C@H]1CCCNC1)N(CCO)CC(F)(F)F.
What is the InChIKey of (3S)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is TZZACBLHBMUVFR-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c11-10(12,13)7-15(4-5-16)9(17)8-2-1-3-14-6-8/h8,14,16H,1-7H2/t8-/m0/s1.
What are the key properties of (3S)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
(3S)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 254.25 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 81129484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).