4-methylpentyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate

C20H35NO3 — CID 91734594

IUPAC4-methylpentyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate
SMILESCC(C)CCCOC(=O)C1CCN(C(=O)CCC2CCCC2)CC1
InChIInChI=1S/C20H35NO3/c1-16(2)6-5-15-24-20(23)18-11-13-21(14-12-18)19(22)10-9-17-7-3-4-8-17/h16-18H,3-15H2,1-2H3
InChIKeyFYIIETDBZSGRQD-UHFFFAOYSA-N
MW337.50 g/mol
LogP4.17
Rot. Bonds8

About 4-methylpentyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate

4-methylpentyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate (PubChem CID 91734594) has the molecular formula C20H35NO3 and a molecular weight of 337.50 g/mol. Its IUPAC name is 4-methylpentyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name4-methylpentyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate
PubChem CID91734594
Molecular FormulaC20H35NO3
Molecular Weight337.50 g/mol
Exact Mass337.26
IUPAC Name4-methylpentyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate
SMILESCC(C)CCCOC(=O)C1CCN(C(=O)CCC2CCCC2)CC1
InChIInChI=1S/C20H35NO3/c1-16(2)6-5-15-24-20(23)18-11-13-21(14-12-18)19(22)10-9-17-7-3-4-8-17/h16-18H,3-15H2,1-2H3
InChIKeyFYIIETDBZSGRQD-UHFFFAOYSA-N
XLogP4.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.50
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methylpentyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate?
The IUPAC name of 4-methylpentyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate (CID 91734594) is 4-methylpentyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate.
What is the SMILES notation for 4-methylpentyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate?
The canonical SMILES for 4-methylpentyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate is CC(C)CCCOC(=O)C1CCN(C(=O)CCC2CCCC2)CC1.
What is the InChIKey of 4-methylpentyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate?
The InChIKey is FYIIETDBZSGRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO3/c1-16(2)6-5-15-24-20(23)18-11-13-21(14-12-18)19(22)10-9-17-7-3-4-8-17/h16-18H,3-15H2,1-2H3.
What are the key properties of 4-methylpentyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate?
4-methylpentyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate has a molecular weight of 337.50 g/mol, XLogP of 4.17, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate is sourced from PubChem (CID 91734594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).