tert-butyl (2R)-2-[(Z)-hept-4-enoyl]piperidine-1-carboxylate

C17H29NO3 — CID 11346976

IUPACtert-butyl (2R)-2-[(Z)-hept-4-enoyl]piperidine-1-carboxylate
SMILESCC/C=C\CCC(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H29NO3/c1-5-6-7-8-12-15(19)14-11-9-10-13-18(14)16(20)21-17(2,3)4/h6-7,14H,5,8-13H2,1-4H3/b7-6-/t14-/m1/s1
InChIKeyHKCBOWHGAZBJQC-LMVHVUTASA-N
MW295.42 g/mol
LogP4.09
Rot. Bonds5

About tert-butyl (2R)-2-[(Z)-hept-4-enoyl]piperidine-1-carboxylate

tert-butyl (2R)-2-[(Z)-hept-4-enoyl]piperidine-1-carboxylate (PubChem CID 11346976) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(Z)-hept-4-enoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(Z)-hept-4-enoyl]piperidine-1-carboxylate
PubChem CID11346976
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Nametert-butyl (2R)-2-[(Z)-hept-4-enoyl]piperidine-1-carboxylate
SMILESCC/C=C\CCC(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H29NO3/c1-5-6-7-8-12-15(19)14-11-9-10-13-18(14)16(20)21-17(2,3)4/h6-7,14H,5,8-13H2,1-4H3/b7-6-/t14-/m1/s1
InChIKeyHKCBOWHGAZBJQC-LMVHVUTASA-N
XLogP4.09
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 54.09
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 (2R)-2-[(Z)-hept-4-enoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[(Z)-hept-4-enoyl]piperidine-1-carboxylate (CID 11346976) is tert-butyl (2R)-2-[(Z)-hept-4-enoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[(Z)-hept-4-enoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[(Z)-hept-4-enoyl]piperidine-1-carboxylate is CC/C=C\CCC(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-[(Z)-hept-4-enoyl]piperidine-1-carboxylate?
The InChIKey is HKCBOWHGAZBJQC-LMVHVUTASA-N. The full InChI is InChI=1S/C17H29NO3/c1-5-6-7-8-12-15(19)14-11-9-10-13-18(14)16(20)21-17(2,3)4/h6-7,14H,5,8-13H2,1-4H3/b7-6-/t14-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(Z)-hept-4-enoyl]piperidine-1-carboxylate?
tert-butyl (2R)-2-[(Z)-hept-4-enoyl]piperidine-1-carboxylate has a molecular weight of 295.42 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(Z)-hept-4-enoyl]piperidine-1-carboxylate is sourced from PubChem (CID 11346976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).