N-(2-thiophen-2-ylethyl)-1-[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperidine-4-carboxamide

C23H25F3N2O2S — CID 60599914

IUPACN-(2-thiophen-2-ylethyl)-1-[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperidine-4-carboxamide
SMILESO=C(NCCc1cccs1)C1CCN(C(=O)C2CC2c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C23H25F3N2O2S/c24-23(25,26)17-5-3-15(4-6-17)19-14-20(19)22(30)28-11-8-16(9-12-28)21(29)27-10-7-18-2-1-13-31-18/h1-6,13,16,19-20H,7-12,14H2,(H,27,29)
InChIKeyRXKWWASGVGDSMO-UHFFFAOYSA-N
MW450.53 g/mol
LogP4.47
Rot. Bonds6

About N-(2-thiophen-2-ylethyl)-1-[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperidine-4-carboxamide

N-(2-thiophen-2-ylethyl)-1-[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperidine-4-carboxamide (PubChem CID 60599914) has the molecular formula C23H25F3N2O2S and a molecular weight of 450.53 g/mol. Its IUPAC name is N-(2-thiophen-2-ylethyl)-1-[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-thiophen-2-ylethyl)-1-[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperidine-4-carboxamide
PubChem CID60599914
Molecular FormulaC23H25F3N2O2S
Molecular Weight450.53 g/mol
Exact Mass450.16
IUPAC NameN-(2-thiophen-2-ylethyl)-1-[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperidine-4-carboxamide
SMILESO=C(NCCc1cccs1)C1CCN(C(=O)C2CC2c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C23H25F3N2O2S/c24-23(25,26)17-5-3-15(4-6-17)19-14-20(19)22(30)28-11-8-16(9-12-28)21(29)27-10-7-18-2-1-13-31-18/h1-6,13,16,19-20H,7-12,14H2,(H,27,29)
InChIKeyRXKWWASGVGDSMO-UHFFFAOYSA-N
XLogP4.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.53
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-thiophen-2-ylethyl)-1-[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-(2-thiophen-2-ylethyl)-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxamide
CID 86863889
1-[2-nitro-4-(trifluoromethyl)phenyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 26795651
1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 120790556
1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 60600003
1-(2-amino-2-phenylacetyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 119308566
1-[(2S)-2-amino-3-methylbutanoyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride
CID 119308575
1-(furan-3-carbonyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 134048432
1-(4-bromobenzoyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 27770344
1-(2-hydroxy-2-methylpropyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 110932610
N-(2-thiophen-2-ylethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892471
4-(2-thiophen-2-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784485
4-(aminomethyl)-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide
CID 79527612

Frequently Asked Questions

What is the IUPAC name of N-(2-thiophen-2-ylethyl)-1-[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperidine-4-carboxamide?
The IUPAC name of N-(2-thiophen-2-ylethyl)-1-[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperidine-4-carboxamide (CID 60599914) is N-(2-thiophen-2-ylethyl)-1-[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-thiophen-2-ylethyl)-1-[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-thiophen-2-ylethyl)-1-[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperidine-4-carboxamide is O=C(NCCc1cccs1)C1CCN(C(=O)C2CC2c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-(2-thiophen-2-ylethyl)-1-[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperidine-4-carboxamide?
The InChIKey is RXKWWASGVGDSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N2O2S/c24-23(25,26)17-5-3-15(4-6-17)19-14-20(19)22(30)28-11-8-16(9-12-28)21(29)27-10-7-18-2-1-13-31-18/h1-6,13,16,19-20H,7-12,14H2,(H,27,29).
What are the key properties of N-(2-thiophen-2-ylethyl)-1-[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperidine-4-carboxamide?
N-(2-thiophen-2-ylethyl)-1-[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperidine-4-carboxamide has a molecular weight of 450.53 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiophen-2-ylethyl)-1-[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 60599914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).