(3S)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]piperidine-3-carboxamide

C14H23F3N2O2 — CID 81119271

IUPAC(3S)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]piperidine-3-carboxamide
SMILESO=C(NC1CCCC(OCC(F)(F)F)C1)[C@H]1CCCNC1
InChIInChI=1S/C14H23F3N2O2/c15-14(16,17)9-21-12-5-1-4-11(7-12)19-13(20)10-3-2-6-18-8-10/h10-12,18H,1-9H2,(H,19,20)/t10-,11?,12?/m0/s1
InChIKeyTXEJIHVJCYRBET-UNXYVOJBSA-N
MW308.34 g/mol
LogP1.99
Rot. Bonds4

About (3S)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]piperidine-3-carboxamide

(3S)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]piperidine-3-carboxamide (PubChem CID 81119271) has the molecular formula C14H23F3N2O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is (3S)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]piperidine-3-carboxamide
PubChem CID81119271
Molecular FormulaC14H23F3N2O2
Molecular Weight308.34 g/mol
Exact Mass308.17
IUPAC Name(3S)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]piperidine-3-carboxamide
SMILESO=C(NC1CCCC(OCC(F)(F)F)C1)[C@H]1CCCNC1
InChIInChI=1S/C14H23F3N2O2/c15-14(16,17)9-21-12-5-1-4-11(7-12)19-13(20)10-3-2-6-18-8-10/h10-12,18H,1-9H2,(H,19,20)/t10-,11?,12?/m0/s1
InChIKeyTXEJIHVJCYRBET-UNXYVOJBSA-N
XLogP1.99
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]piperidine-3-carboxamide (CID 81119271) is (3S)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]piperidine-3-carboxamide is O=C(NC1CCCC(OCC(F)(F)F)C1)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]piperidine-3-carboxamide?
The InChIKey is TXEJIHVJCYRBET-UNXYVOJBSA-N. The full InChI is InChI=1S/C14H23F3N2O2/c15-14(16,17)9-21-12-5-1-4-11(7-12)19-13(20)10-3-2-6-18-8-10/h10-12,18H,1-9H2,(H,19,20)/t10-,11?,12?/m0/s1.
What are the key properties of (3S)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]piperidine-3-carboxamide?
(3S)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]piperidine-3-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]piperidine-3-carboxamide is sourced from PubChem (CID 81119271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).