(4S)-2-(trifluoromethyl)-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide

C14H20F6N2O — CID 163295008

IUPAC(4S)-2-(trifluoromethyl)-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide
SMILESO=C(NC1CCC(C(F)(F)F)CC1)[C@H]1CCNC(C(F)(F)F)C1
InChIInChI=1S/C14H20F6N2O/c15-13(16,17)9-1-3-10(4-2-9)22-12(23)8-5-6-21-11(7-8)14(18,19)20/h8-11,21H,1-7H2,(H,22,23)/t8-,9?,10?,11?/m0/s1
InChIKeySFEIURMVNNYEOP-FBAUCUACSA-N
MW346.32 g/mol
LogP3.15
Rot. Bonds2

About (4S)-2-(trifluoromethyl)-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide

(4S)-2-(trifluoromethyl)-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide (PubChem CID 163295008) has the molecular formula C14H20F6N2O and a molecular weight of 346.32 g/mol. Its IUPAC name is (4S)-2-(trifluoromethyl)-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-2-(trifluoromethyl)-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide
PubChem CID163295008
Molecular FormulaC14H20F6N2O
Molecular Weight346.32 g/mol
Exact Mass346.15
IUPAC Name(4S)-2-(trifluoromethyl)-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide
SMILESO=C(NC1CCC(C(F)(F)F)CC1)[C@H]1CCNC(C(F)(F)F)C1
InChIInChI=1S/C14H20F6N2O/c15-13(16,17)9-1-3-10(4-2-9)22-12(23)8-5-6-21-11(7-8)14(18,19)20/h8-11,21H,1-7H2,(H,22,23)/t8-,9?,10?,11?/m0/s1
InChIKeySFEIURMVNNYEOP-FBAUCUACSA-N
XLogP3.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.32
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-(trifluoromethyl)-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide?
The IUPAC name of (4S)-2-(trifluoromethyl)-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide (CID 163295008) is (4S)-2-(trifluoromethyl)-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide.
What is the SMILES notation for (4S)-2-(trifluoromethyl)-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide?
The canonical SMILES for (4S)-2-(trifluoromethyl)-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide is O=C(NC1CCC(C(F)(F)F)CC1)[C@H]1CCNC(C(F)(F)F)C1.
What is the InChIKey of (4S)-2-(trifluoromethyl)-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide?
The InChIKey is SFEIURMVNNYEOP-FBAUCUACSA-N. The full InChI is InChI=1S/C14H20F6N2O/c15-13(16,17)9-1-3-10(4-2-9)22-12(23)8-5-6-21-11(7-8)14(18,19)20/h8-11,21H,1-7H2,(H,22,23)/t8-,9?,10?,11?/m0/s1.
What are the key properties of (4S)-2-(trifluoromethyl)-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide?
(4S)-2-(trifluoromethyl)-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide has a molecular weight of 346.32 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(trifluoromethyl)-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide is sourced from PubChem (CID 163295008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).