(2R,5S)-N,N-dimethyl-5-piperidin-4-yloxolane-2-carboxamide;2,2,2-trifluoroacetic acid

C14H23F3N2O4 — CID 170902451

IUPAC(2R,5S)-N,N-dimethyl-5-piperidin-4-yloxolane-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)[C@H]1CC[C@@H](C2CCNCC2)O1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H22N2O2.C2HF3O2/c1-14(2)12(15)11-4-3-10(16-11)9-5-7-13-8-6-9;3-2(4,5)1(6)7/h9-11,13H,3-8H2,1-2H3;(H,6,7)/t10-,11+;/m0./s1
InChIKeyFSVUGDADUZDGFW-VZXYPILPSA-N
MW340.34 g/mol
LogP1.26
Rot. Bonds2

About (2R,5S)-N,N-dimethyl-5-piperidin-4-yloxolane-2-carboxamide;2,2,2-trifluoroacetic acid

(2R,5S)-N,N-dimethyl-5-piperidin-4-yloxolane-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 170902451) has the molecular formula C14H23F3N2O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is (2R,5S)-N,N-dimethyl-5-piperidin-4-yloxolane-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2R,5S)-N,N-dimethyl-5-piperidin-4-yloxolane-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID170902451
Molecular FormulaC14H23F3N2O4
Molecular Weight340.34 g/mol
Exact Mass340.16
IUPAC Name(2R,5S)-N,N-dimethyl-5-piperidin-4-yloxolane-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)[C@H]1CC[C@@H](C2CCNCC2)O1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H22N2O2.C2HF3O2/c1-14(2)12(15)11-4-3-10(16-11)9-5-7-13-8-6-9;3-2(4,5)1(6)7/h9-11,13H,3-8H2,1-2H3;(H,6,7)/t10-,11+;/m0./s1
InChIKeyFSVUGDADUZDGFW-VZXYPILPSA-N
XLogP1.26
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3aR,5S,7aR)-N,N-dimethyl-1-(1H-pyrrole-3-carbonyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide;2,2,2-trifluoroacetic acid
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(3aR,5R,7aR)-1-(furan-2-ylmethyl)-N,N-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide;2,2,2-trifluoroacetic acid
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(3aR,5R,7aR)-N,N-dimethyl-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide;2,2,2-trifluoroacetic acid
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piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 68619388
N-methyl-N-pyrrolidin-3-ylacetamide;2,2,2-trifluoroacetic acid
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pyrrolidine;2,2,2-trifluoroacetic acid
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(2S,3aR,6aR)-N,N-dimethyl-4-(1,3-thiazol-2-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-N,N-dimethyl-5-piperidin-4-yloxolane-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of (2R,5S)-N,N-dimethyl-5-piperidin-4-yloxolane-2-carboxamide;2,2,2-trifluoroacetic acid (CID 170902451) is (2R,5S)-N,N-dimethyl-5-piperidin-4-yloxolane-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2R,5S)-N,N-dimethyl-5-piperidin-4-yloxolane-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2R,5S)-N,N-dimethyl-5-piperidin-4-yloxolane-2-carboxamide;2,2,2-trifluoroacetic acid is CN(C)C(=O)[C@H]1CC[C@@H](C2CCNCC2)O1.O=C(O)C(F)(F)F.
What is the InChIKey of (2R,5S)-N,N-dimethyl-5-piperidin-4-yloxolane-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is FSVUGDADUZDGFW-VZXYPILPSA-N. The full InChI is InChI=1S/C12H22N2O2.C2HF3O2/c1-14(2)12(15)11-4-3-10(16-11)9-5-7-13-8-6-9;3-2(4,5)1(6)7/h9-11,13H,3-8H2,1-2H3;(H,6,7)/t10-,11+;/m0./s1.
What are the key properties of (2R,5S)-N,N-dimethyl-5-piperidin-4-yloxolane-2-carboxamide;2,2,2-trifluoroacetic acid?
(2R,5S)-N,N-dimethyl-5-piperidin-4-yloxolane-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 340.34 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-N,N-dimethyl-5-piperidin-4-yloxolane-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 170902451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).