N-(1-adamantyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide

C23H29F3N2O2 — CID 2978769

IUPACN-(1-adamantyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C23H29F3N2O2/c24-23(25,26)19-3-1-2-18(11-19)22(30)4-6-28(7-5-22)20(29)27-21-12-15-8-16(13-21)10-17(9-15)14-21/h1-3,11,15-17,30H,4-10,12-14H2,(H,27,29)
InChIKeyIXFJRLUTWTWTJR-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.67
Rot. Bonds2

About N-(1-adamantyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide

N-(1-adamantyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 2978769) has the molecular formula C23H29F3N2O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-(1-adamantyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID2978769
Molecular FormulaC23H29F3N2O2
Molecular Weight422.49 g/mol
Exact Mass422.22
IUPAC NameN-(1-adamantyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C23H29F3N2O2/c24-23(25,26)19-3-1-2-18(11-19)22(30)4-6-28(7-5-22)20(29)27-21-12-15-8-16(13-21)10-17(9-15)14-21/h1-3,11,15-17,30H,4-10,12-14H2,(H,27,29)
InChIKeyIXFJRLUTWTWTJR-UHFFFAOYSA-N
XLogP4.67
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of N-(1-adamantyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 2978769) is N-(1-adamantyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for N-(1-adamantyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-(1-adamantyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is IXFJRLUTWTWTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F3N2O2/c24-23(25,26)19-3-1-2-18(11-19)22(30)4-6-28(7-5-22)20(29)27-21-12-15-8-16(13-21)10-17(9-15)14-21/h1-3,11,15-17,30H,4-10,12-14H2,(H,27,29).
What are the key properties of N-(1-adamantyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
N-(1-adamantyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 4.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 2978769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).