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

C16H25F3N4O2 — CID 90542141

IUPACN,N-di(propan-2-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
SMILESCC(C)N(C(=O)CN1CCC(c2nnc(C(F)(F)F)o2)CC1)C(C)C
InChIInChI=1S/C16H25F3N4O2/c1-10(2)23(11(3)4)13(24)9-22-7-5-12(6-8-22)14-20-21-15(25-14)16(17,18)19/h10-12H,5-9H2,1-4H3
InChIKeyQDSJBEGPAIOCKI-UHFFFAOYSA-N
MW362.40 g/mol
LogP2.91
Rot. Bonds5

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

N,N-di(propan-2-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide (PubChem CID 90542141) has the molecular formula C16H25F3N4O2 and a molecular weight of 362.40 g/mol. Its IUPAC name is N,N-di(propan-2-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-di(propan-2-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
PubChem CID90542141
Molecular FormulaC16H25F3N4O2
Molecular Weight362.40 g/mol
Exact Mass362.19
IUPAC NameN,N-di(propan-2-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
SMILESCC(C)N(C(=O)CN1CCC(c2nnc(C(F)(F)F)o2)CC1)C(C)C
InChIInChI=1S/C16H25F3N4O2/c1-10(2)23(11(3)4)13(24)9-22-7-5-12(6-8-22)14-20-21-15(25-14)16(17,18)19/h10-12H,5-9H2,1-4H3
InChIKeyQDSJBEGPAIOCKI-UHFFFAOYSA-N
XLogP2.91
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-di(propan-2-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
The IUPAC name of N,N-di(propan-2-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide (CID 90542141) is N,N-di(propan-2-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for N,N-di(propan-2-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
The canonical SMILES for N,N-di(propan-2-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide is CC(C)N(C(=O)CN1CCC(c2nnc(C(F)(F)F)o2)CC1)C(C)C.
What is the InChIKey of N,N-di(propan-2-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
The InChIKey is QDSJBEGPAIOCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3N4O2/c1-10(2)23(11(3)4)13(24)9-22-7-5-12(6-8-22)14-20-21-15(25-14)16(17,18)19/h10-12H,5-9H2,1-4H3.
What are the key properties of N,N-di(propan-2-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
N,N-di(propan-2-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide has a molecular weight of 362.40 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 90542141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).