N-[[(2S)-oxolan-2-yl]methyl]-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide

C13H21F3N2O3 — CID 97321631

IUPACN-[[(2S)-oxolan-2-yl]methyl]-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)N1CCC([C@@H](O)C(F)(F)F)CC1
InChIInChI=1S/C13H21F3N2O3/c14-13(15,16)11(19)9-3-5-18(6-4-9)12(20)17-8-10-2-1-7-21-10/h9-11,19H,1-8H2,(H,17,20)/t10-,11+/m0/s1
InChIKeyXIIPNNURHIRLDR-WDEREUQCSA-N
MW310.32 g/mol
LogP1.51
Rot. Bonds3

About N-[[(2S)-oxolan-2-yl]methyl]-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide

N-[[(2S)-oxolan-2-yl]methyl]-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide (PubChem CID 97321631) has the molecular formula C13H21F3N2O3 and a molecular weight of 310.32 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide
PubChem CID97321631
Molecular FormulaC13H21F3N2O3
Molecular Weight310.32 g/mol
Exact Mass310.15
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)N1CCC([C@@H](O)C(F)(F)F)CC1
InChIInChI=1S/C13H21F3N2O3/c14-13(15,16)11(19)9-3-5-18(6-4-9)12(20)17-8-10-2-1-7-21-10/h9-11,19H,1-8H2,(H,17,20)/t10-,11+/m0/s1
InChIKeyXIIPNNURHIRLDR-WDEREUQCSA-N
XLogP1.51
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide (CID 97321631) is N-[[(2S)-oxolan-2-yl]methyl]-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide is O=C(NC[C@@H]1CCCO1)N1CCC([C@@H](O)C(F)(F)F)CC1.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide?
The InChIKey is XIIPNNURHIRLDR-WDEREUQCSA-N. The full InChI is InChI=1S/C13H21F3N2O3/c14-13(15,16)11(19)9-3-5-18(6-4-9)12(20)17-8-10-2-1-7-21-10/h9-11,19H,1-8H2,(H,17,20)/t10-,11+/m0/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide?
N-[[(2S)-oxolan-2-yl]methyl]-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide has a molecular weight of 310.32 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide is sourced from PubChem (CID 97321631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).