(3S)-N-cyclohexylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid

C14H23F3N2O3 — CID 66742803

IUPAC(3S)-N-cyclohexylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NC1CCCCC1)[C@H]1CCCNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H22N2O.C2HF3O2/c15-12(10-5-4-8-13-9-10)14-11-6-2-1-3-7-11;3-2(4,5)1(6)7/h10-11,13H,1-9H2,(H,14,15);(H,6,7)/t10-;/m0./s1
InChIKeyGLTMCGSEQOUSAQ-PPHPATTJSA-N
MW324.34 g/mol
LogP2.07
Rot. Bonds2

About (3S)-N-cyclohexylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid

(3S)-N-cyclohexylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 66742803) has the molecular formula C14H23F3N2O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is (3S)-N-cyclohexylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(3S)-N-cyclohexylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID66742803
Molecular FormulaC14H23F3N2O3
Molecular Weight324.34 g/mol
Exact Mass324.17
IUPAC Name(3S)-N-cyclohexylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NC1CCCCC1)[C@H]1CCCNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H22N2O.C2HF3O2/c15-12(10-5-4-8-13-9-10)14-11-6-2-1-3-7-11;3-2(4,5)1(6)7/h10-11,13H,1-9H2,(H,14,15);(H,6,7)/t10-;/m0./s1
InChIKeyGLTMCGSEQOUSAQ-PPHPATTJSA-N
XLogP2.07
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclohexylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of (3S)-N-cyclohexylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 66742803) is (3S)-N-cyclohexylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (3S)-N-cyclohexylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for (3S)-N-cyclohexylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid is O=C(NC1CCCCC1)[C@H]1CCCNC1.O=C(O)C(F)(F)F.
What is the InChIKey of (3S)-N-cyclohexylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is GLTMCGSEQOUSAQ-PPHPATTJSA-N. The full InChI is InChI=1S/C12H22N2O.C2HF3O2/c15-12(10-5-4-8-13-9-10)14-11-6-2-1-3-7-11;3-2(4,5)1(6)7/h10-11,13H,1-9H2,(H,14,15);(H,6,7)/t10-;/m0./s1.
What are the key properties of (3S)-N-cyclohexylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid?
(3S)-N-cyclohexylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 324.34 g/mol, XLogP of 2.07, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclohexylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 66742803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).