1-(cyclopropanecarbonyl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidine-4-carboxamide

C19H23F3N2O3 — CID 55803507

IUPAC1-(cyclopropanecarbonyl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidine-4-carboxamide
SMILESO=C(NCCOc1ccc(C(F)(F)F)cc1)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C19H23F3N2O3/c20-19(21,22)15-3-5-16(6-4-15)27-12-9-23-17(25)13-7-10-24(11-8-13)18(26)14-1-2-14/h3-6,13-14H,1-2,7-12H2,(H,23,25)
InChIKeyXYLOQZQSOLLWER-UHFFFAOYSA-N
MW384.40 g/mol
LogP2.85
Rot. Bonds6

About 1-(cyclopropanecarbonyl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidine-4-carboxamide

1-(cyclopropanecarbonyl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidine-4-carboxamide (PubChem CID 55803507) has the molecular formula C19H23F3N2O3 and a molecular weight of 384.40 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidine-4-carboxamide
PubChem CID55803507
Molecular FormulaC19H23F3N2O3
Molecular Weight384.40 g/mol
Exact Mass384.17
IUPAC Name1-(cyclopropanecarbonyl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidine-4-carboxamide
SMILESO=C(NCCOc1ccc(C(F)(F)F)cc1)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C19H23F3N2O3/c20-19(21,22)15-3-5-16(6-4-15)27-12-9-23-17(25)13-7-10-24(11-8-13)18(26)14-1-2-14/h3-6,13-14H,1-2,7-12H2,(H,23,25)
InChIKeyXYLOQZQSOLLWER-UHFFFAOYSA-N
XLogP2.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(cyclopropanecarbonyl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]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

N-[2-(4-tert-butylphenoxy)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 31336587
1,1-dioxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]thiolane-3-carboxamide
CID 55803512
N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-3-carboxamide
CID 119736792
N-[2-(3-methoxyphenoxy)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 46451115
1-(2,2-dimethylpropanoyl)-N-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxamide
CID 37361348
ethyl 1-[N'-methyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]carbamimidoyl]piperidine-4-carboxylate
CID 111155058
N-[2-(4-methoxyphenoxy)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 113005367
N-[2-(4-tert-butylphenoxy)ethyl]cyclopentanecarboxamide
CID 94868061
tert-butyl 4-[2-(4-methoxyphenoxy)ethylcarbamoyl]piperidine-1-carboxylate
CID 51232746
1-(cyclopropanecarbonyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]piperidine-4-carboxamide
CID 55880213
N-[2-(4-methoxyphenoxy)ethyl]cyclopropanecarboxamide
CID 8935452
1-(cyclopropanecarbonyl)-N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 55336924

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidine-4-carboxamide (CID 55803507) is 1-(cyclopropanecarbonyl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidine-4-carboxamide is O=C(NCCOc1ccc(C(F)(F)F)cc1)C1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidine-4-carboxamide?
The InChIKey is XYLOQZQSOLLWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O3/c20-19(21,22)15-3-5-16(6-4-15)27-12-9-23-17(25)13-7-10-24(11-8-13)18(26)14-1-2-14/h3-6,13-14H,1-2,7-12H2,(H,23,25).
What are the key properties of 1-(cyclopropanecarbonyl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidine-4-carboxamide?
1-(cyclopropanecarbonyl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidine-4-carboxamide has a molecular weight of 384.40 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 55803507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).