N-(2-methoxycyclohexyl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide

C15H25F3N2O3 — CID 75469008

IUPACN-(2-methoxycyclohexyl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide
SMILESCOC1CCCCC1NC(=O)N1CCC(C(O)C(F)(F)F)CC1
InChIInChI=1S/C15H25F3N2O3/c1-23-12-5-3-2-4-11(12)19-14(22)20-8-6-10(7-9-20)13(21)15(16,17)18/h10-13,21H,2-9H2,1H3,(H,19,22)
InChIKeyKCXUQPUTFREUKM-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.29
Rot. Bonds3

About N-(2-methoxycyclohexyl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide

N-(2-methoxycyclohexyl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide (PubChem CID 75469008) has the molecular formula C15H25F3N2O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-(2-methoxycyclohexyl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxycyclohexyl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide
PubChem CID75469008
Molecular FormulaC15H25F3N2O3
Molecular Weight338.37 g/mol
Exact Mass338.18
IUPAC NameN-(2-methoxycyclohexyl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide
SMILESCOC1CCCCC1NC(=O)N1CCC(C(O)C(F)(F)F)CC1
InChIInChI=1S/C15H25F3N2O3/c1-23-12-5-3-2-4-11(12)19-14(22)20-8-6-10(7-9-20)13(21)15(16,17)18/h10-13,21H,2-9H2,1H3,(H,19,22)
InChIKeyKCXUQPUTFREUKM-UHFFFAOYSA-N
XLogP2.29
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxycyclohexyl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide?
The IUPAC name of N-(2-methoxycyclohexyl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide (CID 75469008) is N-(2-methoxycyclohexyl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-methoxycyclohexyl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-methoxycyclohexyl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide is COC1CCCCC1NC(=O)N1CCC(C(O)C(F)(F)F)CC1.
What is the InChIKey of N-(2-methoxycyclohexyl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide?
The InChIKey is KCXUQPUTFREUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O3/c1-23-12-5-3-2-4-11(12)19-14(22)20-8-6-10(7-9-20)13(21)15(16,17)18/h10-13,21H,2-9H2,1H3,(H,19,22).
What are the key properties of N-(2-methoxycyclohexyl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide?
N-(2-methoxycyclohexyl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxycyclohexyl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 75469008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).