1-[(E)-4-methylpent-2-enyl]piperidine-4-carboxamide

C12H22N2O — CID 58719861

IUPAC1-[(E)-4-methylpent-2-enyl]piperidine-4-carboxamide
SMILESCC(C)/C=C/CN1CCC(C(N)=O)CC1
InChIInChI=1S/C12H22N2O/c1-10(2)4-3-7-14-8-5-11(6-9-14)12(13)15/h3-4,10-11H,5-9H2,1-2H3,(H2,13,15)/b4-3+
InChIKeyTZJRXUAGEFEVLC-ONEGZZNKSA-N
MW210.32 g/mol
LogP1.40
Rot. Bonds4

About 1-[(E)-4-methylpent-2-enyl]piperidine-4-carboxamide

1-[(E)-4-methylpent-2-enyl]piperidine-4-carboxamide (PubChem CID 58719861) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-[(E)-4-methylpent-2-enyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(E)-4-methylpent-2-enyl]piperidine-4-carboxamide
PubChem CID58719861
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-[(E)-4-methylpent-2-enyl]piperidine-4-carboxamide
SMILESCC(C)/C=C/CN1CCC(C(N)=O)CC1
InChIInChI=1S/C12H22N2O/c1-10(2)4-3-7-14-8-5-11(6-9-14)12(13)15/h3-4,10-11H,5-9H2,1-2H3,(H2,13,15)/b4-3+
InChIKeyTZJRXUAGEFEVLC-ONEGZZNKSA-N
XLogP1.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-[(E)-4-methylpent-2-enyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(E)-4-methylpent-2-enyl]piperidine-4-carboxamide (CID 58719861) is 1-[(E)-4-methylpent-2-enyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(E)-4-methylpent-2-enyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(E)-4-methylpent-2-enyl]piperidine-4-carboxamide is CC(C)/C=C/CN1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[(E)-4-methylpent-2-enyl]piperidine-4-carboxamide?
The InChIKey is TZJRXUAGEFEVLC-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H22N2O/c1-10(2)4-3-7-14-8-5-11(6-9-14)12(13)15/h3-4,10-11H,5-9H2,1-2H3,(H2,13,15)/b4-3+.
What are the key properties of 1-[(E)-4-methylpent-2-enyl]piperidine-4-carboxamide?
1-[(E)-4-methylpent-2-enyl]piperidine-4-carboxamide has a molecular weight of 210.32 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4-methylpent-2-enyl]piperidine-4-carboxamide is sourced from PubChem (CID 58719861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).