1-(cyclopropanecarbonyl)-N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide

C25H27F3N2O4 — CID 55336924

IUPAC1-(cyclopropanecarbonyl)-N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESCCOc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)C2CCN(C(=O)C3CC3)CC2)cc1
InChIInChI=1S/C25H27F3N2O4/c1-2-33-19-6-8-20(9-7-19)34-22-10-5-18(25(26,27)28)15-21(22)29-23(31)16-11-13-30(14-12-16)24(32)17-3-4-17/h5-10,15-17H,2-4,11-14H2,1H3,(H,29,31)
InChIKeySZWFKNUJRUADLR-UHFFFAOYSA-N
MW476.50 g/mol
LogP5.48
Rot. Bonds7

About 1-(cyclopropanecarbonyl)-N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide

1-(cyclopropanecarbonyl)-N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide (PubChem CID 55336924) has the molecular formula C25H27F3N2O4 and a molecular weight of 476.50 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
PubChem CID55336924
Molecular FormulaC25H27F3N2O4
Molecular Weight476.50 g/mol
Exact Mass476.19
IUPAC Name1-(cyclopropanecarbonyl)-N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESCCOc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)C2CCN(C(=O)C3CC3)CC2)cc1
InChIInChI=1S/C25H27F3N2O4/c1-2-33-19-6-8-20(9-7-19)34-22-10-5-18(25(26,27)28)15-21(22)29-23(31)16-11-13-30(14-12-16)24(32)17-3-4-17/h5-10,15-17H,2-4,11-14H2,1H3,(H,29,31)
InChIKeySZWFKNUJRUADLR-UHFFFAOYSA-N
XLogP5.48
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.50
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2R,4R)-N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 11921158
1-(2-methylpropanoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 30747986
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
1-(cyclopropanecarbonyl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidine-4-carboxamide
CID 55803507
4-[[2-propoxy-5-(trifluoromethyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672202
1-(4-chlorobenzoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 26175419
N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 46820076
N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 24505901
(3R)-N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-hydroxypyrrolidine-1-carboxamide
CID 111431517
4-[[2-(4-ethoxyphenoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672214
N-[4-(4-ethoxyphenoxy)phenyl]cyclopropanecarboxamide
CID 2446885

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide (CID 55336924) is 1-(cyclopropanecarbonyl)-N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide is CCOc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)C2CCN(C(=O)C3CC3)CC2)cc1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is SZWFKNUJRUADLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N2O4/c1-2-33-19-6-8-20(9-7-19)34-22-10-5-18(25(26,27)28)15-21(22)29-23(31)16-11-13-30(14-12-16)24(32)17-3-4-17/h5-10,15-17H,2-4,11-14H2,1H3,(H,29,31).
What are the key properties of 1-(cyclopropanecarbonyl)-N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
1-(cyclopropanecarbonyl)-N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 476.50 g/mol, XLogP of 5.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 55336924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).