tert-butyl 4-[(3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-1-en-3-yl]piperidine-1-carboxylate

C20H36N2O4 — CID 162417829

IUPACtert-butyl 4-[(3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-1-en-3-yl]piperidine-1-carboxylate
SMILESC=C[C@H](C1CCN(C(=O)OC(C)(C)C)CC1)[C@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C20H36N2O4/c1-9-16(14(2)21-17(23)25-19(3,4)5)15-10-12-22(13-11-15)18(24)26-20(6,7)8/h9,14-16H,1,10-13H2,2-8H3,(H,21,23)/t14-,16-/m0/s1
InChIKeyMWDHVUKVCOQCHG-HOCLYGCPSA-N
MW368.52 g/mol
LogP4.35
Rot. Bonds4

About tert-butyl 4-[(3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-1-en-3-yl]piperidine-1-carboxylate

tert-butyl 4-[(3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-1-en-3-yl]piperidine-1-carboxylate (PubChem CID 162417829) has the molecular formula C20H36N2O4 and a molecular weight of 368.52 g/mol. Its IUPAC name is tert-butyl 4-[(3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-1-en-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-1-en-3-yl]piperidine-1-carboxylate
PubChem CID162417829
Molecular FormulaC20H36N2O4
Molecular Weight368.52 g/mol
Exact Mass368.27
IUPAC Nametert-butyl 4-[(3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-1-en-3-yl]piperidine-1-carboxylate
SMILESC=C[C@H](C1CCN(C(=O)OC(C)(C)C)CC1)[C@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C20H36N2O4/c1-9-16(14(2)21-17(23)25-19(3,4)5)15-10-12-22(13-11-15)18(24)26-20(6,7)8/h9,14-16H,1,10-13H2,2-8H3,(H,21,23)/t14-,16-/m0/s1
InChIKeyMWDHVUKVCOQCHG-HOCLYGCPSA-N
XLogP4.35
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl 4-[(3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-1-en-3-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl N-[(1S)-1-(1-pent-4-enoylpiperidin-4-yl)ethyl]carbamate
CID 95614881
tert-butyl N-[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methyl]carbamate
CID 23137630
tert-butyl (3R,4R)-4-(aminomethyl)-3-ethenylpiperidine-1-carboxylate
CID 54530914
tert-butyl N-[[(2S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]carbamate
CID 59129895
Tert-butyl 3-amino-4-ethenylpiperidine-1-carboxylate
CID 68041799
tert-butyl N-[[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]carbamate
CID 68536632
tert-butyl (3R,4R)-3-ethenyl-4-[(2-trimethylsilylethoxycarbonylamino)methyl]piperidine-1-carboxylate
CID 69948933
tert-butyl N-[(2S,4S)-4-methylhept-6-en-2-yl]carbamate
CID 87202862
tert-butyl (2S,5R)-2-ethenyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 89190580
tert-butyl 4-[[[(5Z,8Z,17Z)-icosa-5,8,11,14,17-pentaenyl]amino]methyl]piperidine-1-carboxylate
CID 90033792
Tert-butyl 4-ethenyl-3-(methylamino)piperidine-1-carboxylate
CID 91201774
Tert-butyl 4-(1-aminoprop-2-enyl)piperidine-1-carboxylate
CID 121301904

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-1-en-3-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-1-en-3-yl]piperidine-1-carboxylate (CID 162417829) is tert-butyl 4-[(3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-1-en-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-1-en-3-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-1-en-3-yl]piperidine-1-carboxylate is C=C[C@H](C1CCN(C(=O)OC(C)(C)C)CC1)[C@H](C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-[(3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-1-en-3-yl]piperidine-1-carboxylate?
The InChIKey is MWDHVUKVCOQCHG-HOCLYGCPSA-N. The full InChI is InChI=1S/C20H36N2O4/c1-9-16(14(2)21-17(23)25-19(3,4)5)15-10-12-22(13-11-15)18(24)26-20(6,7)8/h9,14-16H,1,10-13H2,2-8H3,(H,21,23)/t14-,16-/m0/s1.
What are the key properties of tert-butyl 4-[(3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-1-en-3-yl]piperidine-1-carboxylate?
tert-butyl 4-[(3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-1-en-3-yl]piperidine-1-carboxylate has a molecular weight of 368.52 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-1-en-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 162417829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).