(3Z)-1-benzyl-3-(dimethylaminomethylidene)piperidin-4-one

C15H20N2O — CID 28742102

IUPAC(3Z)-1-benzyl-3-(dimethylaminomethylidene)piperidin-4-one
SMILESCN(C)/C=C1/CN(Cc2ccccc2)CCC1=O
InChIInChI=1S/C15H20N2O/c1-16(2)11-14-12-17(9-8-15(14)18)10-13-6-4-3-5-7-13/h3-7,11H,8-10,12H2,1-2H3/b14-11-
InChIKeyALNLRGKJASPTJG-KAMYIIQDSA-N
MW244.34 g/mol
LogP1.91
Rot. Bonds3

About (3Z)-1-benzyl-3-(dimethylaminomethylidene)piperidin-4-one

(3Z)-1-benzyl-3-(dimethylaminomethylidene)piperidin-4-one (PubChem CID 28742102) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is (3Z)-1-benzyl-3-(dimethylaminomethylidene)piperidin-4-one.

Molecular Properties

Compound Name(3Z)-1-benzyl-3-(dimethylaminomethylidene)piperidin-4-one
PubChem CID28742102
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name(3Z)-1-benzyl-3-(dimethylaminomethylidene)piperidin-4-one
SMILESCN(C)/C=C1/CN(Cc2ccccc2)CCC1=O
InChIInChI=1S/C15H20N2O/c1-16(2)11-14-12-17(9-8-15(14)18)10-13-6-4-3-5-7-13/h3-7,11H,8-10,12H2,1-2H3/b14-11-
InChIKeyALNLRGKJASPTJG-KAMYIIQDSA-N
XLogP1.91
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3Z,4E)-1-benzyl-3,4-di(ethylidene)piperidine
CID 10911293
(3E)-1-benzyl-3-[(3-fluorophenyl)methylidene]piperidin-4-one
CID 110538840
(3E)-1-benzyl-3-[(2-nitrophenyl)methylidene]piperidin-4-one
CID 110537492
2-[(4E)-1-benzyl-4-(dimethylaminomethylidene)pyrrolidin-3-ylidene]propanedinitrile
CID 88522415
1-benzyl-3-(dimethylaminomethylidene)pyrrolidine-2,5-dione
CID 6611033
(3E)-1-benzyl-3-[(3,5-dichloro-4-propan-2-yloxyphenyl)methylidene]piperidin-4-one
CID 110532203
1-benzylpiperidin-4-one;butane
CID 70571840
1-benzyl-7-(dimethylaminomethylidene)-3,4,4a,5,8,8a-hexahydro-2H-quinolin-6-one
CID 70585087
1-benzylpiperidin-3-one;hydrate
CID 144851326
1-benzyl-4,5-diethyl-3,6-dihydro-2H-pyridine
CID 70971463
1,2-dibenzyl-4-(dimethylaminomethylidene)pyrazolidine-3,5-dione
CID 22095973
1-benzyl-3,5-bis[[4-(dimethylamino)phenyl]methylidene]piperidin-4-one
CID 54125661

Frequently Asked Questions

What is the IUPAC name of (3Z)-1-benzyl-3-(dimethylaminomethylidene)piperidin-4-one?
The IUPAC name of (3Z)-1-benzyl-3-(dimethylaminomethylidene)piperidin-4-one (CID 28742102) is (3Z)-1-benzyl-3-(dimethylaminomethylidene)piperidin-4-one.
What is the SMILES notation for (3Z)-1-benzyl-3-(dimethylaminomethylidene)piperidin-4-one?
The canonical SMILES for (3Z)-1-benzyl-3-(dimethylaminomethylidene)piperidin-4-one is CN(C)/C=C1/CN(Cc2ccccc2)CCC1=O.
What is the InChIKey of (3Z)-1-benzyl-3-(dimethylaminomethylidene)piperidin-4-one?
The InChIKey is ALNLRGKJASPTJG-KAMYIIQDSA-N. The full InChI is InChI=1S/C15H20N2O/c1-16(2)11-14-12-17(9-8-15(14)18)10-13-6-4-3-5-7-13/h3-7,11H,8-10,12H2,1-2H3/b14-11-.
What are the key properties of (3Z)-1-benzyl-3-(dimethylaminomethylidene)piperidin-4-one?
(3Z)-1-benzyl-3-(dimethylaminomethylidene)piperidin-4-one has a molecular weight of 244.34 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-benzyl-3-(dimethylaminomethylidene)piperidin-4-one is sourced from PubChem (CID 28742102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).