1-phenyl-3,6-bis(prop-1-en-2-yl)piperidin-2-one

C17H21NO — CID 549352

IUPAC1-phenyl-3,6-bis(prop-1-en-2-yl)piperidin-2-one
SMILESC=C(C)C1CCC(C(=C)C)N(c2ccccc2)C1=O
InChIInChI=1S/C17H21NO/c1-12(2)15-10-11-16(13(3)4)18(17(15)19)14-8-6-5-7-9-14/h5-9,15-16H,1,3,10-11H2,2,4H3
InChIKeyHERFHCQHRFIIGT-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.95
Rot. Bonds3

About 1-phenyl-3,6-bis(prop-1-en-2-yl)piperidin-2-one

1-phenyl-3,6-bis(prop-1-en-2-yl)piperidin-2-one (PubChem CID 549352) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-phenyl-3,6-bis(prop-1-en-2-yl)piperidin-2-one.

Molecular Properties

Compound Name1-phenyl-3,6-bis(prop-1-en-2-yl)piperidin-2-one
PubChem CID549352
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-phenyl-3,6-bis(prop-1-en-2-yl)piperidin-2-one
SMILESC=C(C)C1CCC(C(=C)C)N(c2ccccc2)C1=O
InChIInChI=1S/C17H21NO/c1-12(2)15-10-11-16(13(3)4)18(17(15)19)14-8-6-5-7-9-14/h5-9,15-16H,1,3,10-11H2,2,4H3
InChIKeyHERFHCQHRFIIGT-UHFFFAOYSA-N
XLogP3.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-phenyl-3,6-bis(prop-1-en-2-yl)piperidin-2-one?
The IUPAC name of 1-phenyl-3,6-bis(prop-1-en-2-yl)piperidin-2-one (CID 549352) is 1-phenyl-3,6-bis(prop-1-en-2-yl)piperidin-2-one.
What is the SMILES notation for 1-phenyl-3,6-bis(prop-1-en-2-yl)piperidin-2-one?
The canonical SMILES for 1-phenyl-3,6-bis(prop-1-en-2-yl)piperidin-2-one is C=C(C)C1CCC(C(=C)C)N(c2ccccc2)C1=O.
What is the InChIKey of 1-phenyl-3,6-bis(prop-1-en-2-yl)piperidin-2-one?
The InChIKey is HERFHCQHRFIIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-12(2)15-10-11-16(13(3)4)18(17(15)19)14-8-6-5-7-9-14/h5-9,15-16H,1,3,10-11H2,2,4H3.
What are the key properties of 1-phenyl-3,6-bis(prop-1-en-2-yl)piperidin-2-one?
1-phenyl-3,6-bis(prop-1-en-2-yl)piperidin-2-one has a molecular weight of 255.36 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3,6-bis(prop-1-en-2-yl)piperidin-2-one is sourced from PubChem (CID 549352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).