N-(4-hydroxycyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide

C13H21F3N2O2 — CID 104982850

IUPACN-(4-hydroxycyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESO=C(NC1CCC(O)CC1)C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)8-1-6-11(17-7-8)12(20)18-9-2-4-10(19)5-3-9/h8-11,17,19H,1-7H2,(H,18,20)
InChIKeyHRVIJSGUUVXADL-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.34
Rot. Bonds2

About N-(4-hydroxycyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide

N-(4-hydroxycyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide (PubChem CID 104982850) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide
PubChem CID104982850
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC NameN-(4-hydroxycyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESO=C(NC1CCC(O)CC1)C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)8-1-6-11(17-7-8)12(20)18-9-2-4-10(19)5-3-9/h8-11,17,19H,1-7H2,(H,18,20)
InChIKeyHRVIJSGUUVXADL-UHFFFAOYSA-N
XLogP1.34
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide (CID 104982850) is N-(4-hydroxycyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide is O=C(NC1CCC(O)CC1)C1CCC(C(F)(F)F)CN1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The InChIKey is HRVIJSGUUVXADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O2/c14-13(15,16)8-1-6-11(17-7-8)12(20)18-9-2-4-10(19)5-3-9/h8-11,17,19H,1-7H2,(H,18,20).
What are the key properties of N-(4-hydroxycyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
N-(4-hydroxycyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide has a molecular weight of 294.32 g/mol, XLogP of 1.34, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide is sourced from PubChem (CID 104982850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).