ethyl 4-(1-phenylethylcarbamoyl)piperidine-1-carboxylate

C17H24N2O3 — CID 46798149

IUPACethyl 4-(1-phenylethylcarbamoyl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C(=O)NC(C)c2ccccc2)CC1
InChIInChI=1S/C17H24N2O3/c1-3-22-17(21)19-11-9-15(10-12-19)16(20)18-13(2)14-7-5-4-6-8-14/h4-8,13,15H,3,9-12H2,1-2H3,(H,18,20)
InChIKeyAJUVHBJLASSGQB-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.73
Rot. Bonds4

About ethyl 4-(1-phenylethylcarbamoyl)piperidine-1-carboxylate

ethyl 4-(1-phenylethylcarbamoyl)piperidine-1-carboxylate (PubChem CID 46798149) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is ethyl 4-(1-phenylethylcarbamoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(1-phenylethylcarbamoyl)piperidine-1-carboxylate
PubChem CID46798149
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Nameethyl 4-(1-phenylethylcarbamoyl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C(=O)NC(C)c2ccccc2)CC1
InChIInChI=1S/C17H24N2O3/c1-3-22-17(21)19-11-9-15(10-12-19)16(20)18-13(2)14-7-5-4-6-8-14/h4-8,13,15H,3,9-12H2,1-2H3,(H,18,20)
InChIKeyAJUVHBJLASSGQB-UHFFFAOYSA-N
XLogP2.73
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[[(1R)-1-phenylethyl]carbamoyl]piperidine-1-carboxylate
CID 7323759
ethyl 4-[1-[4-(trifluoromethyl)phenyl]ethylcarbamoyl]piperidine-1-carboxylate
CID 46448992
ethyl 4-[[(1S)-1-pyridin-2-ylethyl]carbamoyl]piperidine-1-carboxylate
CID 35939336
ethyl 4-[3-(1-phenylethylcarbamoyl)piperidin-1-yl]sulfonylpiperazine-1-carboxylate
CID 24789953
1-(2-methylpropanoyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 113004076
ethyl 4-[[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]carbamoyl]piperidine-1-carboxylate
CID 40881117
1-(2-phenylacetyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 113004094
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
1-(4-methylbenzoyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 113004083
ethyl 4-[1-(2,5-dimethylphenyl)ethylcarbamoyl]piperidine-1-carboxylate
CID 17459653
ethyl 4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazine-1-carboxylate
CID 8932163
ethyl 4-[[(1R)-1-phenylethyl]sulfamoyl]piperidine-1-carboxylate
CID 95328331

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1-phenylethylcarbamoyl)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(1-phenylethylcarbamoyl)piperidine-1-carboxylate (CID 46798149) is ethyl 4-(1-phenylethylcarbamoyl)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(1-phenylethylcarbamoyl)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(1-phenylethylcarbamoyl)piperidine-1-carboxylate is CCOC(=O)N1CCC(C(=O)NC(C)c2ccccc2)CC1.
What is the InChIKey of ethyl 4-(1-phenylethylcarbamoyl)piperidine-1-carboxylate?
The InChIKey is AJUVHBJLASSGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-3-22-17(21)19-11-9-15(10-12-19)16(20)18-13(2)14-7-5-4-6-8-14/h4-8,13,15H,3,9-12H2,1-2H3,(H,18,20).
What are the key properties of ethyl 4-(1-phenylethylcarbamoyl)piperidine-1-carboxylate?
ethyl 4-(1-phenylethylcarbamoyl)piperidine-1-carboxylate has a molecular weight of 304.39 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1-phenylethylcarbamoyl)piperidine-1-carboxylate is sourced from PubChem (CID 46798149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).