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

C27H21NO — CID 102319550

IUPAC(3Z,5E)-3,5-bis(naphthalen-1-ylmethylidene)piperidin-4-one
SMILESO=C1/C(=C\c2cccc3ccccc23)CNC/C1=C\c1cccc2ccccc12
InChIInChI=1S/C27H21NO/c29-27-23(15-21-11-5-9-19-7-1-3-13-25(19)21)17-28-18-24(27)16-22-12-6-10-20-8-2-4-14-26(20)22/h1-16,28H,17-18H2/b23-15-,24-16+
InChIKeyZUOMENXXCRZTKO-REPVBDINSA-N
MW375.47 g/mol
LogP5.63
Rot. Bonds2

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

(3Z,5E)-3,5-bis(naphthalen-1-ylmethylidene)piperidin-4-one (PubChem CID 102319550) has the molecular formula C27H21NO and a molecular weight of 375.47 g/mol. Its IUPAC name is (3Z,5E)-3,5-bis(naphthalen-1-ylmethylidene)piperidin-4-one.

Molecular Properties

Compound Name(3Z,5E)-3,5-bis(naphthalen-1-ylmethylidene)piperidin-4-one
PubChem CID102319550
Molecular FormulaC27H21NO
Molecular Weight375.47 g/mol
Exact Mass375.16
IUPAC Name(3Z,5E)-3,5-bis(naphthalen-1-ylmethylidene)piperidin-4-one
SMILESO=C1/C(=C\c2cccc3ccccc23)CNC/C1=C\c1cccc2ccccc12
InChIInChI=1S/C27H21NO/c29-27-23(15-21-11-5-9-19-7-1-3-13-25(19)21)17-28-18-24(27)16-22-12-6-10-20-8-2-4-14-26(20)22/h1-16,28H,17-18H2/b23-15-,24-16+
InChIKeyZUOMENXXCRZTKO-REPVBDINSA-N
XLogP5.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Related Compounds

6-(naphthalen-1-ylmethylidene)-7,8-dihydro-1H-quinoline-2,5-dione
CID 91943336
(3Z,5E)-3,5-bis[[2-(dimethylamino)phenyl]methylidene]piperidin-4-one
CID 67867595
(3Z)-3-(naphthalen-1-ylmethylidene)thiochromen-4-one
CID 1212003
(2E)-6-methoxy-2-(naphthalen-1-ylmethylidene)-3,4-dihydronaphthalen-1-one
CID 134848209
1-(cyclohexylidenemethyl)naphthalene
CID 15459219
(2E,6E)-2,6-bis[(7-phenylmethoxynaphthalen-1-yl)methylidene]cyclohexan-1-one
CID 176830384
naphthalene-1-carbaldehyde;hydroiodide
CID 172736279
naphthalene-1-carbaldehyde;zinc
CID 88790891
(5Z)-2-naphthalen-1-ylimino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one
CID 135563192
3-(naphthalen-1-ylmethylidene)cyclobutan-1-amine
CID 103393853
(2E)-2-(naphthalen-1-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one
CID 695478
(5Z)-1-methyl-5-(naphthalen-1-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 2248707

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-3,5-bis(naphthalen-1-ylmethylidene)piperidin-4-one?
The IUPAC name of (3Z,5E)-3,5-bis(naphthalen-1-ylmethylidene)piperidin-4-one (CID 102319550) is (3Z,5E)-3,5-bis(naphthalen-1-ylmethylidene)piperidin-4-one.
What is the SMILES notation for (3Z,5E)-3,5-bis(naphthalen-1-ylmethylidene)piperidin-4-one?
The canonical SMILES for (3Z,5E)-3,5-bis(naphthalen-1-ylmethylidene)piperidin-4-one is O=C1/C(=C\c2cccc3ccccc23)CNC/C1=C\c1cccc2ccccc12.
What is the InChIKey of (3Z,5E)-3,5-bis(naphthalen-1-ylmethylidene)piperidin-4-one?
The InChIKey is ZUOMENXXCRZTKO-REPVBDINSA-N. The full InChI is InChI=1S/C27H21NO/c29-27-23(15-21-11-5-9-19-7-1-3-13-25(19)21)17-28-18-24(27)16-22-12-6-10-20-8-2-4-14-26(20)22/h1-16,28H,17-18H2/b23-15-,24-16+.
What are the key properties of (3Z,5E)-3,5-bis(naphthalen-1-ylmethylidene)piperidin-4-one?
(3Z,5E)-3,5-bis(naphthalen-1-ylmethylidene)piperidin-4-one has a molecular weight of 375.47 g/mol, XLogP of 5.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-3,5-bis(naphthalen-1-ylmethylidene)piperidin-4-one is sourced from PubChem (CID 102319550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).