tert-butyl (3S)-3-[[(E)-3-methoxy-2-methylprop-2-enoyl]amino]piperidine-1-carboxylate

C15H26N2O4 — CID 71514723

IUPACtert-butyl (3S)-3-[[(E)-3-methoxy-2-methylprop-2-enoyl]amino]piperidine-1-carboxylate
SMILESCO/C=C(\C)C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H26N2O4/c1-11(10-20-5)13(18)16-12-7-6-8-17(9-12)14(19)21-15(2,3)4/h10,12H,6-9H2,1-5H3,(H,16,18)/b11-10+/t12-/m0/s1
InChIKeySHRVYEHUGNVEOU-IIANPFDCSA-N
MW298.38 g/mol
LogP2.05
Rot. Bonds3

About tert-butyl (3S)-3-[[(E)-3-methoxy-2-methylprop-2-enoyl]amino]piperidine-1-carboxylate

tert-butyl (3S)-3-[[(E)-3-methoxy-2-methylprop-2-enoyl]amino]piperidine-1-carboxylate (PubChem CID 71514723) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is tert-butyl (3S)-3-[[(E)-3-methoxy-2-methylprop-2-enoyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-[[(E)-3-methoxy-2-methylprop-2-enoyl]amino]piperidine-1-carboxylate
PubChem CID71514723
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Nametert-butyl (3S)-3-[[(E)-3-methoxy-2-methylprop-2-enoyl]amino]piperidine-1-carboxylate
SMILESCO/C=C(\C)C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H26N2O4/c1-11(10-20-5)13(18)16-12-7-6-8-17(9-12)14(19)21-15(2,3)4/h10,12H,6-9H2,1-5H3,(H,16,18)/b11-10+/t12-/m0/s1
InChIKeySHRVYEHUGNVEOU-IIANPFDCSA-N
XLogP2.05
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze tert-butyl (3S)-3-[[(E)-3-methoxy-2-methylprop-2-enoyl]amino]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 3-(carbamoylamino)piperidine-1-carboxylate
CID 22357480
tert-butyl (3R)-3-[(2-methoxyacetyl)amino]piperidine-1-carboxylate
CID 53256453
tert-butyl (3S)-3-[[(E)-but-2-enoyl]amino]piperidine-1-carboxylate
CID 155353442
tert-butyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]azepane-1-carboxylate
CID 171397391
tert-butyl 3-[[(2Z,4E)-5-chloro-2-sulfanylpenta-2,4-dienoyl]amino]piperidine-1-carboxylate
CID 143028613
tert-butyl 3-(methylsulfanylamino)piperidine-1-carboxylate
CID 142582835
tert-butyl (3R)-3-(oxane-4-carbonylamino)piperidine-1-carboxylate
CID 53256460
tert-butyl (3R)-3-[[(2S)-2-amino-3-methylbutanoyl]amino]piperidine-1-carboxylate
CID 66564157
tert-butyl 3-(ethylsulfonylamino)piperidine-1-carboxylate
CID 75994051
tert-butyl 3-[[ethyl(methyl)carbamoyl]amino]piperidine-1-carboxylate
CID 126812951
tert-butyl 3-[(2-methylcyclopropyl)amino]piperidine-1-carboxylate
CID 62397126
tert-butyl (3S)-3-(2-methoxyethenyl)piperidine-1-carboxylate
CID 164591882

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[[(E)-3-methoxy-2-methylprop-2-enoyl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-[[(E)-3-methoxy-2-methylprop-2-enoyl]amino]piperidine-1-carboxylate (CID 71514723) is tert-butyl (3S)-3-[[(E)-3-methoxy-2-methylprop-2-enoyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-[[(E)-3-methoxy-2-methylprop-2-enoyl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-[[(E)-3-methoxy-2-methylprop-2-enoyl]amino]piperidine-1-carboxylate is CO/C=C(\C)C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (3S)-3-[[(E)-3-methoxy-2-methylprop-2-enoyl]amino]piperidine-1-carboxylate?
The InChIKey is SHRVYEHUGNVEOU-IIANPFDCSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-11(10-20-5)13(18)16-12-7-6-8-17(9-12)14(19)21-15(2,3)4/h10,12H,6-9H2,1-5H3,(H,16,18)/b11-10+/t12-/m0/s1.
What are the key properties of tert-butyl (3S)-3-[[(E)-3-methoxy-2-methylprop-2-enoyl]amino]piperidine-1-carboxylate?
tert-butyl (3S)-3-[[(E)-3-methoxy-2-methylprop-2-enoyl]amino]piperidine-1-carboxylate has a molecular weight of 298.38 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-[[(E)-3-methoxy-2-methylprop-2-enoyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 71514723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).