N-[3-chloro-5-(trifluoromethyl)phenyl]-2-piperidin-3-ylacetamide

C14H16ClF3N2O — CID 116699598

IUPACN-[3-chloro-5-(trifluoromethyl)phenyl]-2-piperidin-3-ylacetamide
SMILESO=C(CC1CCCNC1)Nc1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C14H16ClF3N2O/c15-11-5-10(14(16,17)18)6-12(7-11)20-13(21)4-9-2-1-3-19-8-9/h5-7,9,19H,1-4,8H2,(H,20,21)
InChIKeyUYRLBMOTDPPHOC-UHFFFAOYSA-N
MW320.74 g/mol
LogP3.69
Rot. Bonds3

About N-[3-chloro-5-(trifluoromethyl)phenyl]-2-piperidin-3-ylacetamide

N-[3-chloro-5-(trifluoromethyl)phenyl]-2-piperidin-3-ylacetamide (PubChem CID 116699598) has the molecular formula C14H16ClF3N2O and a molecular weight of 320.74 g/mol. Its IUPAC name is N-[3-chloro-5-(trifluoromethyl)phenyl]-2-piperidin-3-ylacetamide.

Molecular Properties

Compound NameN-[3-chloro-5-(trifluoromethyl)phenyl]-2-piperidin-3-ylacetamide
PubChem CID116699598
Molecular FormulaC14H16ClF3N2O
Molecular Weight320.74 g/mol
Exact Mass320.09
IUPAC NameN-[3-chloro-5-(trifluoromethyl)phenyl]-2-piperidin-3-ylacetamide
SMILESO=C(CC1CCCNC1)Nc1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C14H16ClF3N2O/c15-11-5-10(14(16,17)18)6-12(7-11)20-13(21)4-9-2-1-3-19-8-9/h5-7,9,19H,1-4,8H2,(H,20,21)
InChIKeyUYRLBMOTDPPHOC-UHFFFAOYSA-N
XLogP3.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.74
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-5-fluorophenyl)-2-piperidin-3-ylacetamide
CID 107365833
N-(4-tert-butylphenyl)-2-piperidin-3-ylacetamide
CID 62690880
2-piperidin-3-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 62689337
2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 116699767
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-piperidin-3-ylacetamide
CID 62675986
4-chloro-3-[(2-piperidin-3-ylacetyl)amino]benzoic acid
CID 62675976
N-(2-chloro-5-iodophenyl)-2-piperidin-3-ylacetamide
CID 114259816
N-(2-chloro-4-fluorophenyl)-2-piperidin-3-ylacetamide
CID 62676653
methyl 2-chloro-5-[(2-piperidin-3-ylacetyl)amino]benzoate
CID 62676837
1-[3-chloro-5-(trifluoromethyl)phenyl]-3-cyclobutylurea
CID 116699316
N-(piperidin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzamide
CID 119461836
4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 116699700

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-(trifluoromethyl)phenyl]-2-piperidin-3-ylacetamide?
The IUPAC name of N-[3-chloro-5-(trifluoromethyl)phenyl]-2-piperidin-3-ylacetamide (CID 116699598) is N-[3-chloro-5-(trifluoromethyl)phenyl]-2-piperidin-3-ylacetamide.
What is the SMILES notation for N-[3-chloro-5-(trifluoromethyl)phenyl]-2-piperidin-3-ylacetamide?
The canonical SMILES for N-[3-chloro-5-(trifluoromethyl)phenyl]-2-piperidin-3-ylacetamide is O=C(CC1CCCNC1)Nc1cc(Cl)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-chloro-5-(trifluoromethyl)phenyl]-2-piperidin-3-ylacetamide?
The InChIKey is UYRLBMOTDPPHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF3N2O/c15-11-5-10(14(16,17)18)6-12(7-11)20-13(21)4-9-2-1-3-19-8-9/h5-7,9,19H,1-4,8H2,(H,20,21).
What are the key properties of N-[3-chloro-5-(trifluoromethyl)phenyl]-2-piperidin-3-ylacetamide?
N-[3-chloro-5-(trifluoromethyl)phenyl]-2-piperidin-3-ylacetamide has a molecular weight of 320.74 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-(trifluoromethyl)phenyl]-2-piperidin-3-ylacetamide is sourced from PubChem (CID 116699598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).