tert-butyl 4-cyclohexyl-4-(3-oxopropyl)piperidine-1-carboxylate

C19H33NO3 — CID 21023777

IUPACtert-butyl 4-cyclohexyl-4-(3-oxopropyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCC=O)(C2CCCCC2)CC1
InChIInChI=1S/C19H33NO3/c1-18(2,3)23-17(22)20-13-11-19(12-14-20,10-7-15-21)16-8-5-4-6-9-16/h15-16H,4-14H2,1-3H3
InChIKeyCGBKIBKHTDCQER-UHFFFAOYSA-N
MW323.48 g/mol
LogP4.56
Rot. Bonds4

About tert-butyl 4-cyclohexyl-4-(3-oxopropyl)piperidine-1-carboxylate

tert-butyl 4-cyclohexyl-4-(3-oxopropyl)piperidine-1-carboxylate (PubChem CID 21023777) has the molecular formula C19H33NO3 and a molecular weight of 323.48 g/mol. Its IUPAC name is tert-butyl 4-cyclohexyl-4-(3-oxopropyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-cyclohexyl-4-(3-oxopropyl)piperidine-1-carboxylate
PubChem CID21023777
Molecular FormulaC19H33NO3
Molecular Weight323.48 g/mol
Exact Mass323.25
IUPAC Nametert-butyl 4-cyclohexyl-4-(3-oxopropyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCC=O)(C2CCCCC2)CC1
InChIInChI=1S/C19H33NO3/c1-18(2,3)23-17(22)20-13-11-19(12-14-20,10-7-15-21)16-8-5-4-6-9-16/h15-16H,4-14H2,1-3H3
InChIKeyCGBKIBKHTDCQER-UHFFFAOYSA-N
XLogP4.56
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-cyclohexyl-4-(3-oxopropyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-cyclohexyl-4-(3-oxopropyl)piperidine-1-carboxylate (CID 21023777) is tert-butyl 4-cyclohexyl-4-(3-oxopropyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-cyclohexyl-4-(3-oxopropyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-cyclohexyl-4-(3-oxopropyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CCC=O)(C2CCCCC2)CC1.
What is the InChIKey of tert-butyl 4-cyclohexyl-4-(3-oxopropyl)piperidine-1-carboxylate?
The InChIKey is CGBKIBKHTDCQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO3/c1-18(2,3)23-17(22)20-13-11-19(12-14-20,10-7-15-21)16-8-5-4-6-9-16/h15-16H,4-14H2,1-3H3.
What are the key properties of tert-butyl 4-cyclohexyl-4-(3-oxopropyl)piperidine-1-carboxylate?
tert-butyl 4-cyclohexyl-4-(3-oxopropyl)piperidine-1-carboxylate has a molecular weight of 323.48 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-cyclohexyl-4-(3-oxopropyl)piperidine-1-carboxylate is sourced from PubChem (CID 21023777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).