(2S)-2-[(1S)-1-hydroxypropyl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide

C11H19F3N2O2 — CID 95628315

IUPAC(2S)-2-[(1S)-1-hydroxypropyl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESCC[C@H](O)[C@@H]1CCCCN1C(=O)NCC(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c1-2-9(17)8-5-3-4-6-16(8)10(18)15-7-11(12,13)14/h8-9,17H,2-7H2,1H3,(H,15,18)/t8-,9-/m0/s1
InChIKeyDSDAVRYPXOEWPQ-IUCAKERBSA-N
MW268.28 g/mol
LogP1.88
Rot. Bonds3

About (2S)-2-[(1S)-1-hydroxypropyl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide

(2S)-2-[(1S)-1-hydroxypropyl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (PubChem CID 95628315) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is (2S)-2-[(1S)-1-hydroxypropyl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-[(1S)-1-hydroxypropyl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
PubChem CID95628315
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name(2S)-2-[(1S)-1-hydroxypropyl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESCC[C@H](O)[C@@H]1CCCCN1C(=O)NCC(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c1-2-9(17)8-5-3-4-6-16(8)10(18)15-7-11(12,13)14/h8-9,17H,2-7H2,1H3,(H,15,18)/t8-,9-/m0/s1
InChIKeyDSDAVRYPXOEWPQ-IUCAKERBSA-N
XLogP1.88
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1S)-1-hydroxypropyl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The IUPAC name of (2S)-2-[(1S)-1-hydroxypropyl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (CID 95628315) is (2S)-2-[(1S)-1-hydroxypropyl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.
What is the SMILES notation for (2S)-2-[(1S)-1-hydroxypropyl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The canonical SMILES for (2S)-2-[(1S)-1-hydroxypropyl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is CC[C@H](O)[C@@H]1CCCCN1C(=O)NCC(F)(F)F.
What is the InChIKey of (2S)-2-[(1S)-1-hydroxypropyl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The InChIKey is DSDAVRYPXOEWPQ-IUCAKERBSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-2-9(17)8-5-3-4-6-16(8)10(18)15-7-11(12,13)14/h8-9,17H,2-7H2,1H3,(H,15,18)/t8-,9-/m0/s1.
What are the key properties of (2S)-2-[(1S)-1-hydroxypropyl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
(2S)-2-[(1S)-1-hydroxypropyl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1S)-1-hydroxypropyl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is sourced from PubChem (CID 95628315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).