ethyl 4-[1-[4-(trifluoromethyl)phenyl]ethylcarbamoyl]piperidine-1-carboxylate

C18H23F3N2O3 — CID 46448992

IUPACethyl 4-[1-[4-(trifluoromethyl)phenyl]ethylcarbamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C(=O)NC(C)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C18H23F3N2O3/c1-3-26-17(25)23-10-8-14(9-11-23)16(24)22-12(2)13-4-6-15(7-5-13)18(19,20)21/h4-7,12,14H,3,8-11H2,1-2H3,(H,22,24)
InChIKeyYBJPFXRDOBBYLN-UHFFFAOYSA-N
MW372.39 g/mol
LogP3.75
Rot. Bonds4

About ethyl 4-[1-[4-(trifluoromethyl)phenyl]ethylcarbamoyl]piperidine-1-carboxylate

ethyl 4-[1-[4-(trifluoromethyl)phenyl]ethylcarbamoyl]piperidine-1-carboxylate (PubChem CID 46448992) has the molecular formula C18H23F3N2O3 and a molecular weight of 372.39 g/mol. Its IUPAC name is ethyl 4-[1-[4-(trifluoromethyl)phenyl]ethylcarbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[1-[4-(trifluoromethyl)phenyl]ethylcarbamoyl]piperidine-1-carboxylate
PubChem CID46448992
Molecular FormulaC18H23F3N2O3
Molecular Weight372.39 g/mol
Exact Mass372.17
IUPAC Nameethyl 4-[1-[4-(trifluoromethyl)phenyl]ethylcarbamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C(=O)NC(C)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C18H23F3N2O3/c1-3-26-17(25)23-10-8-14(9-11-23)16(24)22-12(2)13-4-6-15(7-5-13)18(19,20)21/h4-7,12,14H,3,8-11H2,1-2H3,(H,22,24)
InChIKeyYBJPFXRDOBBYLN-UHFFFAOYSA-N
XLogP3.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(1-phenylethylcarbamoyl)piperidine-1-carboxylate
CID 46798149
N-[1-(4-propan-2-ylphenyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 43055424
ethyl 4-[[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]carbamoyl]piperidine-1-carboxylate
CID 40881117
1-(naphthalene-1-carbonyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
CID 46597648
ethyl 4-[bis[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate
CID 18348177
2,2,2-trifluoroethyl 4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 24642549
ethyl 4-[1-(2,5-dimethylphenyl)ethylcarbamoyl]piperidine-1-carboxylate
CID 17459653
ethyl 4-[[(1S)-1-pyridin-2-ylethyl]carbamoyl]piperidine-1-carboxylate
CID 35939336
tert-butyl 4-[[(1R)-1-phenylethyl]carbamoyl]piperidine-1-carboxylate
CID 7323759
ethyl 4-[(4-propan-2-ylphenyl)carbamoyl]piperidine-1-carboxylate
CID 26288905
N-propan-2-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 17440941
2,2,2-trifluoroethyl 4-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]carbamoyl]piperidine-1-carboxylate
CID 30095256

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-[4-(trifluoromethyl)phenyl]ethylcarbamoyl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[1-[4-(trifluoromethyl)phenyl]ethylcarbamoyl]piperidine-1-carboxylate (CID 46448992) is ethyl 4-[1-[4-(trifluoromethyl)phenyl]ethylcarbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[1-[4-(trifluoromethyl)phenyl]ethylcarbamoyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[1-[4-(trifluoromethyl)phenyl]ethylcarbamoyl]piperidine-1-carboxylate is CCOC(=O)N1CCC(C(=O)NC(C)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of ethyl 4-[1-[4-(trifluoromethyl)phenyl]ethylcarbamoyl]piperidine-1-carboxylate?
The InChIKey is YBJPFXRDOBBYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O3/c1-3-26-17(25)23-10-8-14(9-11-23)16(24)22-12(2)13-4-6-15(7-5-13)18(19,20)21/h4-7,12,14H,3,8-11H2,1-2H3,(H,22,24).
What are the key properties of ethyl 4-[1-[4-(trifluoromethyl)phenyl]ethylcarbamoyl]piperidine-1-carboxylate?
ethyl 4-[1-[4-(trifluoromethyl)phenyl]ethylcarbamoyl]piperidine-1-carboxylate has a molecular weight of 372.39 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-[4-(trifluoromethyl)phenyl]ethylcarbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 46448992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).