(3Z,5E)-1-propyl-3,5-bis(thiophen-3-ylmethylidene)piperidin-4-one

C18H19NOS2 — CID 2392104

IUPAC(3Z,5E)-1-propyl-3,5-bis(thiophen-3-ylmethylidene)piperidin-4-one
SMILESCCCN1C/C(=C/c2ccsc2)C(=O)/C(=C/c2ccsc2)C1
InChIInChI=1S/C18H19NOS2/c1-2-5-19-10-16(8-14-3-6-21-12-14)18(20)17(11-19)9-15-4-7-22-13-15/h3-4,6-9,12-13H,2,5,10-11H2,1H3/b16-8-,17-9+
InChIKeyMEDQWZKTJXXNRM-VAQFQWRASA-N
MW329.49 g/mol
LogP4.57
Rot. Bonds4

About (3Z,5E)-1-propyl-3,5-bis(thiophen-3-ylmethylidene)piperidin-4-one

(3Z,5E)-1-propyl-3,5-bis(thiophen-3-ylmethylidene)piperidin-4-one (PubChem CID 2392104) has the molecular formula C18H19NOS2 and a molecular weight of 329.49 g/mol. Its IUPAC name is (3Z,5E)-1-propyl-3,5-bis(thiophen-3-ylmethylidene)piperidin-4-one.

Molecular Properties

Compound Name(3Z,5E)-1-propyl-3,5-bis(thiophen-3-ylmethylidene)piperidin-4-one
PubChem CID2392104
Molecular FormulaC18H19NOS2
Molecular Weight329.49 g/mol
Exact Mass329.09
IUPAC Name(3Z,5E)-1-propyl-3,5-bis(thiophen-3-ylmethylidene)piperidin-4-one
SMILESCCCN1C/C(=C/c2ccsc2)C(=O)/C(=C/c2ccsc2)C1
InChIInChI=1S/C18H19NOS2/c1-2-5-19-10-16(8-14-3-6-21-12-14)18(20)17(11-19)9-15-4-7-22-13-15/h3-4,6-9,12-13H,2,5,10-11H2,1H3/b16-8-,17-9+
InChIKeyMEDQWZKTJXXNRM-VAQFQWRASA-N
XLogP4.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_ene_A(57)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-1-propyl-3,5-bis(thiophen-3-ylmethylidene)piperidin-4-one?
The IUPAC name of (3Z,5E)-1-propyl-3,5-bis(thiophen-3-ylmethylidene)piperidin-4-one (CID 2392104) is (3Z,5E)-1-propyl-3,5-bis(thiophen-3-ylmethylidene)piperidin-4-one.
What is the SMILES notation for (3Z,5E)-1-propyl-3,5-bis(thiophen-3-ylmethylidene)piperidin-4-one?
The canonical SMILES for (3Z,5E)-1-propyl-3,5-bis(thiophen-3-ylmethylidene)piperidin-4-one is CCCN1C/C(=C/c2ccsc2)C(=O)/C(=C/c2ccsc2)C1.
What is the InChIKey of (3Z,5E)-1-propyl-3,5-bis(thiophen-3-ylmethylidene)piperidin-4-one?
The InChIKey is MEDQWZKTJXXNRM-VAQFQWRASA-N. The full InChI is InChI=1S/C18H19NOS2/c1-2-5-19-10-16(8-14-3-6-21-12-14)18(20)17(11-19)9-15-4-7-22-13-15/h3-4,6-9,12-13H,2,5,10-11H2,1H3/b16-8-,17-9+.
What are the key properties of (3Z,5E)-1-propyl-3,5-bis(thiophen-3-ylmethylidene)piperidin-4-one?
(3Z,5E)-1-propyl-3,5-bis(thiophen-3-ylmethylidene)piperidin-4-one has a molecular weight of 329.49 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-1-propyl-3,5-bis(thiophen-3-ylmethylidene)piperidin-4-one is sourced from PubChem (CID 2392104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).