1-(2-methylpropanoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide

C20H27F3N2O3 — CID 30747986

IUPAC1-(2-methylpropanoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESCCCOc1ccc(C(F)(F)F)cc1NC(=O)C1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C20H27F3N2O3/c1-4-11-28-17-6-5-15(20(21,22)23)12-16(17)24-18(26)14-7-9-25(10-8-14)19(27)13(2)3/h5-6,12-14H,4,7-11H2,1-3H3,(H,24,26)
InChIKeyCRIBLHUCYREBKC-UHFFFAOYSA-N
MW400.44 g/mol
LogP4.33
Rot. Bonds6

About 1-(2-methylpropanoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide

1-(2-methylpropanoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide (PubChem CID 30747986) has the molecular formula C20H27F3N2O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 1-(2-methylpropanoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-methylpropanoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
PubChem CID30747986
Molecular FormulaC20H27F3N2O3
Molecular Weight400.44 g/mol
Exact Mass400.20
IUPAC Name1-(2-methylpropanoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESCCCOc1ccc(C(F)(F)F)cc1NC(=O)C1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C20H27F3N2O3/c1-4-11-28-17-6-5-15(20(21,22)23)12-16(17)24-18(26)14-7-9-25(10-8-14)19(27)13(2)3/h5-6,12-14H,4,7-11H2,1-3H3,(H,24,26)
InChIKeyCRIBLHUCYREBKC-UHFFFAOYSA-N
XLogP4.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-methylpropanoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chlorobenzoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 26175419
4-[[2-propoxy-5-(trifluoromethyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672202
1-(2-phenoxyacetyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 55630582
1-(2,2-dimethylpropanoyl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 33228480
3-(hydroxymethyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 111442987
1-(cyclopropanecarbonyl)-N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 55336924
2-methylsulfanyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 112765166
1-(3-methylpiperidin-1-yl)-2-[2-propoxy-5-(trifluoromethyl)anilino]ethanone
CID 55437070
2-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 4656638
2-acetamido-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide
CID 78777880
4-amino-N-[2-propoxy-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride
CID 120558845
3,3-dimethyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide
CID 112765185

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropanoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-methylpropanoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide (CID 30747986) is 1-(2-methylpropanoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-methylpropanoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-methylpropanoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide is CCCOc1ccc(C(F)(F)F)cc1NC(=O)C1CCN(C(=O)C(C)C)CC1.
What is the InChIKey of 1-(2-methylpropanoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is CRIBLHUCYREBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3N2O3/c1-4-11-28-17-6-5-15(20(21,22)23)12-16(17)24-18(26)14-7-9-25(10-8-14)19(27)13(2)3/h5-6,12-14H,4,7-11H2,1-3H3,(H,24,26).
What are the key properties of 1-(2-methylpropanoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
1-(2-methylpropanoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 400.44 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropanoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 30747986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).