(3Z,5E)-3,5-bis[[2-(dimethylamino)phenyl]methylidene]piperidin-4-one

C23H27N3O — CID 67867595

IUPAC(3Z,5E)-3,5-bis[[2-(dimethylamino)phenyl]methylidene]piperidin-4-one
SMILESCN(C)c1ccccc1/C=C1/CNC/C(=C\c2ccccc2N(C)C)C1=O
InChIInChI=1S/C23H27N3O/c1-25(2)21-11-7-5-9-17(21)13-19-15-24-16-20(23(19)27)14-18-10-6-8-12-22(18)26(3)4/h5-14,24H,15-16H2,1-4H3/b19-13-,20-14+
InChIKeyQCHHKBBHSZZSBM-LRVMPXQBSA-N
MW361.49 g/mol
LogP3.46
Rot. Bonds4

About (3Z,5E)-3,5-bis[[2-(dimethylamino)phenyl]methylidene]piperidin-4-one

(3Z,5E)-3,5-bis[[2-(dimethylamino)phenyl]methylidene]piperidin-4-one (PubChem CID 67867595) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is (3Z,5E)-3,5-bis[[2-(dimethylamino)phenyl]methylidene]piperidin-4-one.

Molecular Properties

Compound Name(3Z,5E)-3,5-bis[[2-(dimethylamino)phenyl]methylidene]piperidin-4-one
PubChem CID67867595
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name(3Z,5E)-3,5-bis[[2-(dimethylamino)phenyl]methylidene]piperidin-4-one
SMILESCN(C)c1ccccc1/C=C1/CNC/C(=C\c2ccccc2N(C)C)C1=O
InChIInChI=1S/C23H27N3O/c1-25(2)21-11-7-5-9-17(21)13-19-15-24-16-20(23(19)27)14-18-10-6-8-12-22(18)26(3)4/h5-14,24H,15-16H2,1-4H3/b19-13-,20-14+
InChIKeyQCHHKBBHSZZSBM-LRVMPXQBSA-N
XLogP3.46
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.46
H-Bond Donors ≤ 51
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)-3,5-bis[[2-(dimethylamino)phenyl]methylidene]piperidin-4-one?
The IUPAC name of (3Z,5E)-3,5-bis[[2-(dimethylamino)phenyl]methylidene]piperidin-4-one (CID 67867595) is (3Z,5E)-3,5-bis[[2-(dimethylamino)phenyl]methylidene]piperidin-4-one.
What is the SMILES notation for (3Z,5E)-3,5-bis[[2-(dimethylamino)phenyl]methylidene]piperidin-4-one?
The canonical SMILES for (3Z,5E)-3,5-bis[[2-(dimethylamino)phenyl]methylidene]piperidin-4-one is CN(C)c1ccccc1/C=C1/CNC/C(=C\c2ccccc2N(C)C)C1=O.
What is the InChIKey of (3Z,5E)-3,5-bis[[2-(dimethylamino)phenyl]methylidene]piperidin-4-one?
The InChIKey is QCHHKBBHSZZSBM-LRVMPXQBSA-N. The full InChI is InChI=1S/C23H27N3O/c1-25(2)21-11-7-5-9-17(21)13-19-15-24-16-20(23(19)27)14-18-10-6-8-12-22(18)26(3)4/h5-14,24H,15-16H2,1-4H3/b19-13-,20-14+.
What are the key properties of (3Z,5E)-3,5-bis[[2-(dimethylamino)phenyl]methylidene]piperidin-4-one?
(3Z,5E)-3,5-bis[[2-(dimethylamino)phenyl]methylidene]piperidin-4-one has a molecular weight of 361.49 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-3,5-bis[[2-(dimethylamino)phenyl]methylidene]piperidin-4-one is sourced from PubChem (CID 67867595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).