methyl (Z)-5-(1-propan-2-ylpiperidin-2-yl)pent-3-enoate

C14H25NO2 — CID 117267758

IUPACmethyl (Z)-5-(1-propan-2-ylpiperidin-2-yl)pent-3-enoate
SMILESCOC(=O)C/C=C\CC1CCCCN1C(C)C
InChIInChI=1S/C14H25NO2/c1-12(2)15-11-7-6-9-13(15)8-4-5-10-14(16)17-3/h4-5,12-13H,6-11H2,1-3H3/b5-4-
InChIKeyGLBBVBUALYEKPE-PLNGDYQASA-N
MW239.36 g/mol
LogP2.76
Rot. Bonds5

About methyl (Z)-5-(1-propan-2-ylpiperidin-2-yl)pent-3-enoate

methyl (Z)-5-(1-propan-2-ylpiperidin-2-yl)pent-3-enoate (PubChem CID 117267758) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is methyl (Z)-5-(1-propan-2-ylpiperidin-2-yl)pent-3-enoate.

Molecular Properties

Compound Namemethyl (Z)-5-(1-propan-2-ylpiperidin-2-yl)pent-3-enoate
PubChem CID117267758
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Namemethyl (Z)-5-(1-propan-2-ylpiperidin-2-yl)pent-3-enoate
SMILESCOC(=O)C/C=C\CC1CCCCN1C(C)C
InChIInChI=1S/C14H25NO2/c1-12(2)15-11-7-6-9-13(15)8-4-5-10-14(16)17-3/h4-5,12-13H,6-11H2,1-3H3/b5-4-
InChIKeyGLBBVBUALYEKPE-PLNGDYQASA-N
XLogP2.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-(1-propan-2-ylpiperidin-2-yl)but-2-enal
CID 117266087
(E)-5-[(2S)-1-propan-2-ylpyrrolidin-2-yl]pent-3-en-2-one
CID 170366422
methyl 3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propanoate
CID 162750775
methyl (Z)-5-(1-propan-2-ylpyrrolidin-3-yl)pent-3-enoate
CID 117267442
1-(1-propan-2-ylpiperidin-2-yl)propan-2-one
CID 79537839
(2S)-2-(2-methylpropyl)-1-propan-2-ylpiperidine
CID 167138611
methyl (Z)-4-(1-propan-2-ylpiperidin-4-yl)but-3-enoate
CID 117267386
methyl 2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]prop-2-enoate
CID 117266941
methyl 3-(2-methylpiperidin-1-yl)butanoate
CID 43537243
methyl 2-[(1-propan-2-ylpiperidin-2-yl)methyl]piperidine-2-carboxylate
CID 115103668
1-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propan-2-one
CID 164547301
1-cyclopropyl-N-[(1-propan-2-ylpiperidin-2-yl)methyl]ethanamine
CID 115895087

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-5-(1-propan-2-ylpiperidin-2-yl)pent-3-enoate?
The IUPAC name of methyl (Z)-5-(1-propan-2-ylpiperidin-2-yl)pent-3-enoate (CID 117267758) is methyl (Z)-5-(1-propan-2-ylpiperidin-2-yl)pent-3-enoate.
What is the SMILES notation for methyl (Z)-5-(1-propan-2-ylpiperidin-2-yl)pent-3-enoate?
The canonical SMILES for methyl (Z)-5-(1-propan-2-ylpiperidin-2-yl)pent-3-enoate is COC(=O)C/C=C\CC1CCCCN1C(C)C.
What is the InChIKey of methyl (Z)-5-(1-propan-2-ylpiperidin-2-yl)pent-3-enoate?
The InChIKey is GLBBVBUALYEKPE-PLNGDYQASA-N. The full InChI is InChI=1S/C14H25NO2/c1-12(2)15-11-7-6-9-13(15)8-4-5-10-14(16)17-3/h4-5,12-13H,6-11H2,1-3H3/b5-4-.
What are the key properties of methyl (Z)-5-(1-propan-2-ylpiperidin-2-yl)pent-3-enoate?
methyl (Z)-5-(1-propan-2-ylpiperidin-2-yl)pent-3-enoate has a molecular weight of 239.36 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-5-(1-propan-2-ylpiperidin-2-yl)pent-3-enoate is sourced from PubChem (CID 117267758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).