N-[1-(1-adamantyl)ethyl]-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide

C22H31F3N4O2 — CID 71793509

IUPACN-[1-(1-adamantyl)ethyl]-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
SMILESCC(NC(=O)CN1CCC(c2nnc(C(F)(F)F)o2)CC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H31F3N4O2/c1-13(21-9-14-6-15(10-21)8-16(7-14)11-21)26-18(30)12-29-4-2-17(3-5-29)19-27-28-20(31-19)22(23,24)25/h13-17H,2-12H2,1H3,(H,26,30)
InChIKeyXCXQGHVOVMNPQV-UHFFFAOYSA-N
MW440.51 g/mol
LogP3.99
Rot. Bonds5

About N-[1-(1-adamantyl)ethyl]-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide

N-[1-(1-adamantyl)ethyl]-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide (PubChem CID 71793509) has the molecular formula C22H31F3N4O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
PubChem CID71793509
Molecular FormulaC22H31F3N4O2
Molecular Weight440.51 g/mol
Exact Mass440.24
IUPAC NameN-[1-(1-adamantyl)ethyl]-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
SMILESCC(NC(=O)CN1CCC(c2nnc(C(F)(F)F)o2)CC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H31F3N4O2/c1-13(21-9-14-6-15(10-21)8-16(7-14)11-21)26-18(30)12-29-4-2-17(3-5-29)19-27-28-20(31-19)22(23,24)25/h13-17H,2-12H2,1H3,(H,26,30)
InChIKeyXCXQGHVOVMNPQV-UHFFFAOYSA-N
XLogP3.99
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide (CID 71793509) is N-[1-(1-adamantyl)ethyl]-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide is CC(NC(=O)CN1CCC(c2nnc(C(F)(F)F)o2)CC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
The InChIKey is XCXQGHVOVMNPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31F3N4O2/c1-13(21-9-14-6-15(10-21)8-16(7-14)11-21)26-18(30)12-29-4-2-17(3-5-29)19-27-28-20(31-19)22(23,24)25/h13-17H,2-12H2,1H3,(H,26,30).
What are the key properties of N-[1-(1-adamantyl)ethyl]-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
N-[1-(1-adamantyl)ethyl]-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide has a molecular weight of 440.51 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 71793509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).