(4-propan-2-ylphenyl) 1-(2-methylpropanoyl)piperidine-4-carboxylate

C19H27NO3 — CID 86921159

IUPAC(4-propan-2-ylphenyl) 1-(2-methylpropanoyl)piperidine-4-carboxylate
SMILESCC(C)C(=O)N1CCC(C(=O)Oc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C19H27NO3/c1-13(2)15-5-7-17(8-6-15)23-19(22)16-9-11-20(12-10-16)18(21)14(3)4/h5-8,13-14,16H,9-12H2,1-4H3
InChIKeyCNUUGTNJSIHZGM-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.61
Rot. Bonds4

About (4-propan-2-ylphenyl) 1-(2-methylpropanoyl)piperidine-4-carboxylate

(4-propan-2-ylphenyl) 1-(2-methylpropanoyl)piperidine-4-carboxylate (PubChem CID 86921159) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is (4-propan-2-ylphenyl) 1-(2-methylpropanoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name(4-propan-2-ylphenyl) 1-(2-methylpropanoyl)piperidine-4-carboxylate
PubChem CID86921159
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name(4-propan-2-ylphenyl) 1-(2-methylpropanoyl)piperidine-4-carboxylate
SMILESCC(C)C(=O)N1CCC(C(=O)Oc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C19H27NO3/c1-13(2)15-5-7-17(8-6-15)23-19(22)16-9-11-20(12-10-16)18(21)14(3)4/h5-8,13-14,16H,9-12H2,1-4H3
InChIKeyCNUUGTNJSIHZGM-UHFFFAOYSA-N
XLogP3.61
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylphenyl) 1-(2-methylpropanoyl)piperidine-4-carboxylate?
The IUPAC name of (4-propan-2-ylphenyl) 1-(2-methylpropanoyl)piperidine-4-carboxylate (CID 86921159) is (4-propan-2-ylphenyl) 1-(2-methylpropanoyl)piperidine-4-carboxylate.
What is the SMILES notation for (4-propan-2-ylphenyl) 1-(2-methylpropanoyl)piperidine-4-carboxylate?
The canonical SMILES for (4-propan-2-ylphenyl) 1-(2-methylpropanoyl)piperidine-4-carboxylate is CC(C)C(=O)N1CCC(C(=O)Oc2ccc(C(C)C)cc2)CC1.
What is the InChIKey of (4-propan-2-ylphenyl) 1-(2-methylpropanoyl)piperidine-4-carboxylate?
The InChIKey is CNUUGTNJSIHZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-13(2)15-5-7-17(8-6-15)23-19(22)16-9-11-20(12-10-16)18(21)14(3)4/h5-8,13-14,16H,9-12H2,1-4H3.
What are the key properties of (4-propan-2-ylphenyl) 1-(2-methylpropanoyl)piperidine-4-carboxylate?
(4-propan-2-ylphenyl) 1-(2-methylpropanoyl)piperidine-4-carboxylate has a molecular weight of 317.43 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylphenyl) 1-(2-methylpropanoyl)piperidine-4-carboxylate is sourced from PubChem (CID 86921159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).