[2,2-bis(prop-2-enyl)piperidin-1-yl]-(1H-imidazol-2-yl)methanone

C15H21N3O — CID 46995120

IUPAC[2,2-bis(prop-2-enyl)piperidin-1-yl]-(1H-imidazol-2-yl)methanone
SMILESC=CCC1(CC=C)CCCCN1C(=O)c1ncc[nH]1
InChIInChI=1S/C15H21N3O/c1-3-7-15(8-4-2)9-5-6-12-18(15)14(19)13-16-10-11-17-13/h3-4,10-11H,1-2,5-9,12H2,(H,16,17)
InChIKeyFJVRRQMXVRPVHN-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.93
Rot. Bonds5

About [2,2-bis(prop-2-enyl)piperidin-1-yl]-(1H-imidazol-2-yl)methanone

[2,2-bis(prop-2-enyl)piperidin-1-yl]-(1H-imidazol-2-yl)methanone (PubChem CID 46995120) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is [2,2-bis(prop-2-enyl)piperidin-1-yl]-(1H-imidazol-2-yl)methanone.

Molecular Properties

Compound Name[2,2-bis(prop-2-enyl)piperidin-1-yl]-(1H-imidazol-2-yl)methanone
PubChem CID46995120
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name[2,2-bis(prop-2-enyl)piperidin-1-yl]-(1H-imidazol-2-yl)methanone
SMILESC=CCC1(CC=C)CCCCN1C(=O)c1ncc[nH]1
InChIInChI=1S/C15H21N3O/c1-3-7-15(8-4-2)9-5-6-12-18(15)14(19)13-16-10-11-17-13/h3-4,10-11H,1-2,5-9,12H2,(H,16,17)
InChIKeyFJVRRQMXVRPVHN-UHFFFAOYSA-N
XLogP2.93
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.93
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 [2,2-bis(prop-2-enyl)piperidin-1-yl]-(1H-imidazol-2-yl)methanone?
The IUPAC name of [2,2-bis(prop-2-enyl)piperidin-1-yl]-(1H-imidazol-2-yl)methanone (CID 46995120) is [2,2-bis(prop-2-enyl)piperidin-1-yl]-(1H-imidazol-2-yl)methanone.
What is the SMILES notation for [2,2-bis(prop-2-enyl)piperidin-1-yl]-(1H-imidazol-2-yl)methanone?
The canonical SMILES for [2,2-bis(prop-2-enyl)piperidin-1-yl]-(1H-imidazol-2-yl)methanone is C=CCC1(CC=C)CCCCN1C(=O)c1ncc[nH]1.
What is the InChIKey of [2,2-bis(prop-2-enyl)piperidin-1-yl]-(1H-imidazol-2-yl)methanone?
The InChIKey is FJVRRQMXVRPVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-7-15(8-4-2)9-5-6-12-18(15)14(19)13-16-10-11-17-13/h3-4,10-11H,1-2,5-9,12H2,(H,16,17).
What are the key properties of [2,2-bis(prop-2-enyl)piperidin-1-yl]-(1H-imidazol-2-yl)methanone?
[2,2-bis(prop-2-enyl)piperidin-1-yl]-(1H-imidazol-2-yl)methanone has a molecular weight of 259.35 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-bis(prop-2-enyl)piperidin-1-yl]-(1H-imidazol-2-yl)methanone is sourced from PubChem (CID 46995120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).