tert-butyl 4-(1-phenylethylcarbamoyl)piperidine-1-carboxylate

C19H28N2O3 — CID 3356534

IUPACtert-butyl 4-(1-phenylethylcarbamoyl)piperidine-1-carboxylate
SMILESCC(NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1
InChIInChI=1S/C19H28N2O3/c1-14(15-8-6-5-7-9-15)20-17(22)16-10-12-21(13-11-16)18(23)24-19(2,3)4/h5-9,14,16H,10-13H2,1-4H3,(H,20,22)
InChIKeyPWRHHPQRAYJQLQ-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.51
Rot. Bonds3

About tert-butyl 4-(1-phenylethylcarbamoyl)piperidine-1-carboxylate

tert-butyl 4-(1-phenylethylcarbamoyl)piperidine-1-carboxylate (PubChem CID 3356534) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is tert-butyl 4-(1-phenylethylcarbamoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1-phenylethylcarbamoyl)piperidine-1-carboxylate
PubChem CID3356534
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Nametert-butyl 4-(1-phenylethylcarbamoyl)piperidine-1-carboxylate
SMILESCC(NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1
InChIInChI=1S/C19H28N2O3/c1-14(15-8-6-5-7-9-15)20-17(22)16-10-12-21(13-11-16)18(23)24-19(2,3)4/h5-9,14,16H,10-13H2,1-4H3,(H,20,22)
InChIKeyPWRHHPQRAYJQLQ-UHFFFAOYSA-N
XLogP3.51
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1-phenylethylcarbamoyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1-phenylethylcarbamoyl)piperidine-1-carboxylate (CID 3356534) is tert-butyl 4-(1-phenylethylcarbamoyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1-phenylethylcarbamoyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1-phenylethylcarbamoyl)piperidine-1-carboxylate is CC(NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1.
What is the InChIKey of tert-butyl 4-(1-phenylethylcarbamoyl)piperidine-1-carboxylate?
The InChIKey is PWRHHPQRAYJQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-14(15-8-6-5-7-9-15)20-17(22)16-10-12-21(13-11-16)18(23)24-19(2,3)4/h5-9,14,16H,10-13H2,1-4H3,(H,20,22).
What are the key properties of tert-butyl 4-(1-phenylethylcarbamoyl)piperidine-1-carboxylate?
tert-butyl 4-(1-phenylethylcarbamoyl)piperidine-1-carboxylate has a molecular weight of 332.44 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1-phenylethylcarbamoyl)piperidine-1-carboxylate is sourced from PubChem (CID 3356534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).