2-[1-[3-chloro-5-(trifluoromethyl)benzoyl]piperidin-2-yl]acetamide

C15H16ClF3N2O2 — CID 91649837

IUPAC2-[1-[3-chloro-5-(trifluoromethyl)benzoyl]piperidin-2-yl]acetamide
SMILESNC(=O)CC1CCCCN1C(=O)c1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C15H16ClF3N2O2/c16-11-6-9(5-10(7-11)15(17,18)19)14(23)21-4-2-1-3-12(21)8-13(20)22/h5-7,12H,1-4,8H2,(H2,20,22)
InChIKeyJWCRTLBFLUQHCT-UHFFFAOYSA-N
MW348.75 g/mol
LogP3.23
Rot. Bonds3

About 2-[1-[3-chloro-5-(trifluoromethyl)benzoyl]piperidin-2-yl]acetamide

2-[1-[3-chloro-5-(trifluoromethyl)benzoyl]piperidin-2-yl]acetamide (PubChem CID 91649837) has the molecular formula C15H16ClF3N2O2 and a molecular weight of 348.75 g/mol. Its IUPAC name is 2-[1-[3-chloro-5-(trifluoromethyl)benzoyl]piperidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[1-[3-chloro-5-(trifluoromethyl)benzoyl]piperidin-2-yl]acetamide
PubChem CID91649837
Molecular FormulaC15H16ClF3N2O2
Molecular Weight348.75 g/mol
Exact Mass348.09
IUPAC Name2-[1-[3-chloro-5-(trifluoromethyl)benzoyl]piperidin-2-yl]acetamide
SMILESNC(=O)CC1CCCCN1C(=O)c1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C15H16ClF3N2O2/c16-11-6-9(5-10(7-11)15(17,18)19)14(23)21-4-2-1-3-12(21)8-13(20)22/h5-7,12H,1-4,8H2,(H2,20,22)
InChIKeyJWCRTLBFLUQHCT-UHFFFAOYSA-N
XLogP3.23
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.75
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3,5-bis(trifluoromethyl)phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 71884403
methyl 2-[(2R)-1-[3-hydroxy-5-(trifluoromethyl)benzoyl]piperidin-2-yl]acetate
CID 166280266
[2-(bromomethyl)azepan-1-yl]-(3,5-dichlorophenyl)methanone
CID 116639616
1-[1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]propan-2-one
CID 79541789
2-[(2R)-1-(2,3-dihydro-1H-indene-5-carbonyl)piperidin-2-yl]acetamide
CID 95293673
2-[(2R)-1-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperidin-2-yl]acetamide
CID 95286122
2-[(2R)-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-2-yl]acetamide
CID 95615420
2-[(2R)-1-(3-chloro-5-fluoro-2-hydroxybenzoyl)piperidin-2-yl]acetamide
CID 97250942
[(2R)-1-[3-(trifluoromethyl)benzoyl]piperidin-2-yl]methylurea
CID 95294540
(3-bromo-5-chlorophenyl)-(2-ethylpiperidin-1-yl)methanone
CID 107951572
(3-chloro-5-methylphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 71025506
[2-(chloromethyl)azepan-1-yl]-(3-chloro-5-methylphenyl)methanone
CID 116639152

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-chloro-5-(trifluoromethyl)benzoyl]piperidin-2-yl]acetamide?
The IUPAC name of 2-[1-[3-chloro-5-(trifluoromethyl)benzoyl]piperidin-2-yl]acetamide (CID 91649837) is 2-[1-[3-chloro-5-(trifluoromethyl)benzoyl]piperidin-2-yl]acetamide.
What is the SMILES notation for 2-[1-[3-chloro-5-(trifluoromethyl)benzoyl]piperidin-2-yl]acetamide?
The canonical SMILES for 2-[1-[3-chloro-5-(trifluoromethyl)benzoyl]piperidin-2-yl]acetamide is NC(=O)CC1CCCCN1C(=O)c1cc(Cl)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[1-[3-chloro-5-(trifluoromethyl)benzoyl]piperidin-2-yl]acetamide?
The InChIKey is JWCRTLBFLUQHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF3N2O2/c16-11-6-9(5-10(7-11)15(17,18)19)14(23)21-4-2-1-3-12(21)8-13(20)22/h5-7,12H,1-4,8H2,(H2,20,22).
What are the key properties of 2-[1-[3-chloro-5-(trifluoromethyl)benzoyl]piperidin-2-yl]acetamide?
2-[1-[3-chloro-5-(trifluoromethyl)benzoyl]piperidin-2-yl]acetamide has a molecular weight of 348.75 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-chloro-5-(trifluoromethyl)benzoyl]piperidin-2-yl]acetamide is sourced from PubChem (CID 91649837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).