1,5-diphenylpentan-3-yl 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate

C30H39NO4 — CID 15380471

IUPAC1,5-diphenylpentan-3-yl 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
SMILESCCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OC(CCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C30H39NO4/c1-4-30(2,3)27(32)28(33)31-22-12-11-17-26(31)29(34)35-25(20-18-23-13-7-5-8-14-23)21-19-24-15-9-6-10-16-24/h5-10,13-16,25-26H,4,11-12,17-22H2,1-3H3
InChIKeyBEBKBVKXUBLHIE-UHFFFAOYSA-N
MW477.65 g/mol
LogP5.55
Rot. Bonds11

About 1,5-diphenylpentan-3-yl 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate

1,5-diphenylpentan-3-yl 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate (PubChem CID 15380471) has the molecular formula C30H39NO4 and a molecular weight of 477.65 g/mol. Its IUPAC name is 1,5-diphenylpentan-3-yl 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate.

Molecular Properties

Compound Name1,5-diphenylpentan-3-yl 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
PubChem CID15380471
Molecular FormulaC30H39NO4
Molecular Weight477.65 g/mol
Exact Mass477.29
IUPAC Name1,5-diphenylpentan-3-yl 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
SMILESCCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OC(CCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C30H39NO4/c1-4-30(2,3)27(32)28(33)31-22-12-11-17-26(31)29(34)35-25(20-18-23-13-7-5-8-14-23)21-19-24-15-9-6-10-16-24/h5-10,13-16,25-26H,4,11-12,17-22H2,1-3H3
InChIKeyBEBKBVKXUBLHIE-UHFFFAOYSA-N
XLogP5.55
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.65
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,5-diphenylpentan-3-yl 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate?
The IUPAC name of 1,5-diphenylpentan-3-yl 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate (CID 15380471) is 1,5-diphenylpentan-3-yl 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate.
What is the SMILES notation for 1,5-diphenylpentan-3-yl 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate?
The canonical SMILES for 1,5-diphenylpentan-3-yl 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate is CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OC(CCc1ccccc1)CCc1ccccc1.
What is the InChIKey of 1,5-diphenylpentan-3-yl 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate?
The InChIKey is BEBKBVKXUBLHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39NO4/c1-4-30(2,3)27(32)28(33)31-22-12-11-17-26(31)29(34)35-25(20-18-23-13-7-5-8-14-23)21-19-24-15-9-6-10-16-24/h5-10,13-16,25-26H,4,11-12,17-22H2,1-3H3.
What are the key properties of 1,5-diphenylpentan-3-yl 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate?
1,5-diphenylpentan-3-yl 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate has a molecular weight of 477.65 g/mol, XLogP of 5.55, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diphenylpentan-3-yl 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate is sourced from PubChem (CID 15380471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).