tert-butyl 4-[bis(prop-2-enyl)carbamoyl]piperidine-1-carboxylate

C17H28N2O3 — CID 5226953

IUPACtert-butyl 4-[bis(prop-2-enyl)carbamoyl]piperidine-1-carboxylate
SMILESC=CCN(CC=C)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H28N2O3/c1-6-10-18(11-7-2)15(20)14-8-12-19(13-9-14)16(21)22-17(3,4)5/h6-7,14H,1-2,8-13H2,3-5H3
InChIKeyKNBYUDUTUXARBZ-UHFFFAOYSA-N
MW308.42 g/mol
LogP2.83
Rot. Bonds5

About tert-butyl 4-[bis(prop-2-enyl)carbamoyl]piperidine-1-carboxylate

tert-butyl 4-[bis(prop-2-enyl)carbamoyl]piperidine-1-carboxylate (PubChem CID 5226953) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is tert-butyl 4-[bis(prop-2-enyl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[bis(prop-2-enyl)carbamoyl]piperidine-1-carboxylate
PubChem CID5226953
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Nametert-butyl 4-[bis(prop-2-enyl)carbamoyl]piperidine-1-carboxylate
SMILESC=CCN(CC=C)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H28N2O3/c1-6-10-18(11-7-2)15(20)14-8-12-19(13-9-14)16(21)22-17(3,4)5/h6-7,14H,1-2,8-13H2,3-5H3
InChIKeyKNBYUDUTUXARBZ-UHFFFAOYSA-N
XLogP2.83
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.83
H-Bond Donors ≤ 50
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-[bis(prop-2-enyl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[bis(prop-2-enyl)carbamoyl]piperidine-1-carboxylate (CID 5226953) is tert-butyl 4-[bis(prop-2-enyl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[bis(prop-2-enyl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[bis(prop-2-enyl)carbamoyl]piperidine-1-carboxylate is C=CCN(CC=C)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[bis(prop-2-enyl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is KNBYUDUTUXARBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-6-10-18(11-7-2)15(20)14-8-12-19(13-9-14)16(21)22-17(3,4)5/h6-7,14H,1-2,8-13H2,3-5H3.
What are the key properties of tert-butyl 4-[bis(prop-2-enyl)carbamoyl]piperidine-1-carboxylate?
tert-butyl 4-[bis(prop-2-enyl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 308.42 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[bis(prop-2-enyl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 5226953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).