tert-butyl 4-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidine-1-carboxylate

C19H32N2O3 — CID 29261655

IUPACtert-butyl 4-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)NCCC2=CCCCC2)CC1
InChIInChI=1S/C19H32N2O3/c1-19(2,3)24-18(23)21-13-10-16(11-14-21)17(22)20-12-9-15-7-5-4-6-8-15/h7,16H,4-6,8-14H2,1-3H3,(H,20,22)
InChIKeyOIQXGKRZWUSDSN-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.64
Rot. Bonds4

About tert-butyl 4-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidine-1-carboxylate

tert-butyl 4-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidine-1-carboxylate (PubChem CID 29261655) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is tert-butyl 4-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidine-1-carboxylate
PubChem CID29261655
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC Nametert-butyl 4-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)NCCC2=CCCCC2)CC1
InChIInChI=1S/C19H32N2O3/c1-19(2,3)24-18(23)21-13-10-16(11-14-21)17(22)20-12-9-15-7-5-4-6-8-15/h7,16H,4-6,8-14H2,1-3H3,(H,20,22)
InChIKeyOIQXGKRZWUSDSN-UHFFFAOYSA-N
XLogP3.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidine-1-carboxylate (CID 29261655) is tert-butyl 4-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(=O)NCCC2=CCCCC2)CC1.
What is the InChIKey of tert-butyl 4-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidine-1-carboxylate?
The InChIKey is OIQXGKRZWUSDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3/c1-19(2,3)24-18(23)21-13-10-16(11-14-21)17(22)20-12-9-15-7-5-4-6-8-15/h7,16H,4-6,8-14H2,1-3H3,(H,20,22).
What are the key properties of tert-butyl 4-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidine-1-carboxylate?
tert-butyl 4-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidine-1-carboxylate has a molecular weight of 336.48 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 29261655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).