N-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]acetamide

C14H17F3N2O2 — CID 60583825

IUPACN-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C14H17F3N2O2/c1-10(20)18-11-6-8-19(9-7-11)12-2-4-13(5-3-12)21-14(15,16)17/h2-5,11H,6-9H2,1H3,(H,18,20)
InChIKeyPHFNUPVDTGSGJB-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.69
Rot. Bonds3

About N-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]acetamide

N-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]acetamide (PubChem CID 60583825) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is N-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]acetamide
PubChem CID60583825
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC NameN-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C14H17F3N2O2/c1-10(20)18-11-6-8-19(9-7-11)12-2-4-13(5-3-12)21-14(15,16)17/h2-5,11H,6-9H2,1H3,(H,18,20)
InChIKeyPHFNUPVDTGSGJB-UHFFFAOYSA-N
XLogP2.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]acetamide (CID 60583825) is N-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of N-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]acetamide?
The InChIKey is PHFNUPVDTGSGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-10(20)18-11-6-8-19(9-7-11)12-2-4-13(5-3-12)21-14(15,16)17/h2-5,11H,6-9H2,1H3,(H,18,20).
What are the key properties of N-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]acetamide?
N-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]acetamide has a molecular weight of 302.30 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 60583825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).