tert-butyl 4-(propylcarbamoyl)piperidine-1-carboxylate

C14H26N2O3 — CID 3365779

IUPACtert-butyl 4-(propylcarbamoyl)piperidine-1-carboxylate
SMILESCCCNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H26N2O3/c1-5-8-15-12(17)11-6-9-16(10-7-11)13(18)19-14(2,3)4/h11H,5-10H2,1-4H3,(H,15,17)
InChIKeyVANKZWSJMOYLCK-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.16
Rot. Bonds3

About tert-butyl 4-(propylcarbamoyl)piperidine-1-carboxylate

tert-butyl 4-(propylcarbamoyl)piperidine-1-carboxylate (PubChem CID 3365779) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl 4-(propylcarbamoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(propylcarbamoyl)piperidine-1-carboxylate
PubChem CID3365779
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nametert-butyl 4-(propylcarbamoyl)piperidine-1-carboxylate
SMILESCCCNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H26N2O3/c1-5-8-15-12(17)11-6-9-16(10-7-11)13(18)19-14(2,3)4/h11H,5-10H2,1-4H3,(H,15,17)
InChIKeyVANKZWSJMOYLCK-UHFFFAOYSA-N
XLogP2.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(propylcarbamoyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(propylcarbamoyl)piperidine-1-carboxylate (CID 3365779) is tert-butyl 4-(propylcarbamoyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(propylcarbamoyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(propylcarbamoyl)piperidine-1-carboxylate is CCCNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(propylcarbamoyl)piperidine-1-carboxylate?
The InChIKey is VANKZWSJMOYLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-8-15-12(17)11-6-9-16(10-7-11)13(18)19-14(2,3)4/h11H,5-10H2,1-4H3,(H,15,17).
What are the key properties of tert-butyl 4-(propylcarbamoyl)piperidine-1-carboxylate?
tert-butyl 4-(propylcarbamoyl)piperidine-1-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(propylcarbamoyl)piperidine-1-carboxylate is sourced from PubChem (CID 3365779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).