3-phenylpropyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate

C23H31NO4 — CID 15380474

IUPAC3-phenylpropyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate
SMILESO=C(C(=O)N1CCCCC1C(=O)OCCCc1ccccc1)C1CCCCC1
InChIInChI=1S/C23H31NO4/c25-21(19-13-5-2-6-14-19)22(26)24-16-8-7-15-20(24)23(27)28-17-9-12-18-10-3-1-4-11-18/h1,3-4,10-11,19-20H,2,5-9,12-17H2
InChIKeyOQVHIQBTTGZGJM-UHFFFAOYSA-N
MW385.50 g/mol
LogP3.69
Rot. Bonds7

About 3-phenylpropyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate

3-phenylpropyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate (PubChem CID 15380474) has the molecular formula C23H31NO4 and a molecular weight of 385.50 g/mol. Its IUPAC name is 3-phenylpropyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate.

Molecular Properties

Compound Name3-phenylpropyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate
PubChem CID15380474
Molecular FormulaC23H31NO4
Molecular Weight385.50 g/mol
Exact Mass385.23
IUPAC Name3-phenylpropyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate
SMILESO=C(C(=O)N1CCCCC1C(=O)OCCCc1ccccc1)C1CCCCC1
InChIInChI=1S/C23H31NO4/c25-21(19-13-5-2-6-14-19)22(26)24-16-8-7-15-20(24)23(27)28-17-9-12-18-10-3-1-4-11-18/h1,3-4,10-11,19-20H,2,5-9,12-17H2
InChIKeyOQVHIQBTTGZGJM-UHFFFAOYSA-N
XLogP3.69
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-phenylpropyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate?
The IUPAC name of 3-phenylpropyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate (CID 15380474) is 3-phenylpropyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate.
What is the SMILES notation for 3-phenylpropyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate?
The canonical SMILES for 3-phenylpropyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate is O=C(C(=O)N1CCCCC1C(=O)OCCCc1ccccc1)C1CCCCC1.
What is the InChIKey of 3-phenylpropyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate?
The InChIKey is OQVHIQBTTGZGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO4/c25-21(19-13-5-2-6-14-19)22(26)24-16-8-7-15-20(24)23(27)28-17-9-12-18-10-3-1-4-11-18/h1,3-4,10-11,19-20H,2,5-9,12-17H2.
What are the key properties of 3-phenylpropyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate?
3-phenylpropyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate has a molecular weight of 385.50 g/mol, XLogP of 3.69, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylpropyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate is sourced from PubChem (CID 15380474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).