1-(3-methylpiperidin-1-yl)-2-[2-propoxy-5-(trifluoromethyl)anilino]ethanone

C18H25F3N2O2 — CID 55437070

IUPAC1-(3-methylpiperidin-1-yl)-2-[2-propoxy-5-(trifluoromethyl)anilino]ethanone
SMILESCCCOc1ccc(C(F)(F)F)cc1NCC(=O)N1CCCC(C)C1
InChIInChI=1S/C18H25F3N2O2/c1-3-9-25-16-7-6-14(18(19,20)21)10-15(16)22-11-17(24)23-8-4-5-13(2)12-23/h6-7,10,13,22H,3-5,8-9,11-12H2,1-2H3
InChIKeyFUQDBSLPBZGWTN-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.16
Rot. Bonds6

About 1-(3-methylpiperidin-1-yl)-2-[2-propoxy-5-(trifluoromethyl)anilino]ethanone

1-(3-methylpiperidin-1-yl)-2-[2-propoxy-5-(trifluoromethyl)anilino]ethanone (PubChem CID 55437070) has the molecular formula C18H25F3N2O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 1-(3-methylpiperidin-1-yl)-2-[2-propoxy-5-(trifluoromethyl)anilino]ethanone.

Molecular Properties

Compound Name1-(3-methylpiperidin-1-yl)-2-[2-propoxy-5-(trifluoromethyl)anilino]ethanone
PubChem CID55437070
Molecular FormulaC18H25F3N2O2
Molecular Weight358.40 g/mol
Exact Mass358.19
IUPAC Name1-(3-methylpiperidin-1-yl)-2-[2-propoxy-5-(trifluoromethyl)anilino]ethanone
SMILESCCCOc1ccc(C(F)(F)F)cc1NCC(=O)N1CCCC(C)C1
InChIInChI=1S/C18H25F3N2O2/c1-3-9-25-16-7-6-14(18(19,20)21)10-15(16)22-11-17(24)23-8-4-5-13(2)12-23/h6-7,10,13,22H,3-5,8-9,11-12H2,1-2H3
InChIKeyFUQDBSLPBZGWTN-UHFFFAOYSA-N
XLogP4.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone
CID 109006549
1-(3-methylpiperidin-1-yl)-2-[2-(trifluoromethyl)anilino]ethanone
CID 109006548
ethyl 4-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]-6-(trifluoromethyl)quinoline-3-carboxylate
CID 21283405
3-(hydroxymethyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 111442987
1-(2-methylpropanoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 30747986
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide
CID 51860705
4-[2-[2-ethoxy-5-(trifluoromethyl)anilino]acetyl]piperazin-2-one
CID 60587676
N-benzyl-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide
CID 42070595
1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 47749828
1-(3-methylpiperidin-1-yl)-2-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]ethanone;hydrochloride
CID 166174081
4-[[2-propoxy-5-(trifluoromethyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672202
3,3-dimethyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide
CID 112765185

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpiperidin-1-yl)-2-[2-propoxy-5-(trifluoromethyl)anilino]ethanone?
The IUPAC name of 1-(3-methylpiperidin-1-yl)-2-[2-propoxy-5-(trifluoromethyl)anilino]ethanone (CID 55437070) is 1-(3-methylpiperidin-1-yl)-2-[2-propoxy-5-(trifluoromethyl)anilino]ethanone.
What is the SMILES notation for 1-(3-methylpiperidin-1-yl)-2-[2-propoxy-5-(trifluoromethyl)anilino]ethanone?
The canonical SMILES for 1-(3-methylpiperidin-1-yl)-2-[2-propoxy-5-(trifluoromethyl)anilino]ethanone is CCCOc1ccc(C(F)(F)F)cc1NCC(=O)N1CCCC(C)C1.
What is the InChIKey of 1-(3-methylpiperidin-1-yl)-2-[2-propoxy-5-(trifluoromethyl)anilino]ethanone?
The InChIKey is FUQDBSLPBZGWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O2/c1-3-9-25-16-7-6-14(18(19,20)21)10-15(16)22-11-17(24)23-8-4-5-13(2)12-23/h6-7,10,13,22H,3-5,8-9,11-12H2,1-2H3.
What are the key properties of 1-(3-methylpiperidin-1-yl)-2-[2-propoxy-5-(trifluoromethyl)anilino]ethanone?
1-(3-methylpiperidin-1-yl)-2-[2-propoxy-5-(trifluoromethyl)anilino]ethanone has a molecular weight of 358.40 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpiperidin-1-yl)-2-[2-propoxy-5-(trifluoromethyl)anilino]ethanone is sourced from PubChem (CID 55437070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).