(E)-4-(dimethylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]but-2-en-1-one

C16H24N4O — CID 166416165

IUPAC(E)-4-(dimethylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]but-2-en-1-one
SMILESCN(C)C/C=C/C(=O)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C16H24N4O/c1-18(2)9-5-7-16(21)20-12-10-19(11-13-20)14-15-6-3-4-8-17-15/h3-8H,9-14H2,1-2H3/b7-5+
InChIKeyRDVJCFYURMCQRK-FNORWQNLSA-N
MW288.40 g/mol
LogP0.84
Rot. Bonds5

About (E)-4-(dimethylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]but-2-en-1-one

(E)-4-(dimethylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]but-2-en-1-one (PubChem CID 166416165) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is (E)-4-(dimethylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]but-2-en-1-one.

Molecular Properties

Compound Name(E)-4-(dimethylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]but-2-en-1-one
PubChem CID166416165
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name(E)-4-(dimethylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]but-2-en-1-one
SMILESCN(C)C/C=C/C(=O)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C16H24N4O/c1-18(2)9-5-7-16(21)20-12-10-19(11-13-20)14-15-6-3-4-8-17-15/h3-8H,9-14H2,1-2H3/b7-5+
InChIKeyRDVJCFYURMCQRK-FNORWQNLSA-N
XLogP0.84
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113106252
N-[4-[3-oxo-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]prop-1-enyl]phenyl]methanesulfonamide
CID 51650371
2-(methylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 54869774
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]prop-2-en-1-one
CID 31915285
3-oxo-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 62230248
(E)-3-(2-propoxyquinolin-3-yl)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]prop-2-en-1-one
CID 78826590
pyridin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 704367
2-chloro-2-fluoro-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 166427945
3,3-diphenyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 14960357
2-hydroxyethyl 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate
CID 79345467
N-ethyl-N-methyl-1-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyrazole-4-carboxamide
CID 123191297
N-(4-methylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 17184500

Frequently Asked Questions

What is the IUPAC name of (E)-4-(dimethylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]but-2-en-1-one?
The IUPAC name of (E)-4-(dimethylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]but-2-en-1-one (CID 166416165) is (E)-4-(dimethylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]but-2-en-1-one.
What is the SMILES notation for (E)-4-(dimethylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]but-2-en-1-one?
The canonical SMILES for (E)-4-(dimethylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]but-2-en-1-one is CN(C)C/C=C/C(=O)N1CCN(Cc2ccccn2)CC1.
What is the InChIKey of (E)-4-(dimethylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]but-2-en-1-one?
The InChIKey is RDVJCFYURMCQRK-FNORWQNLSA-N. The full InChI is InChI=1S/C16H24N4O/c1-18(2)9-5-7-16(21)20-12-10-19(11-13-20)14-15-6-3-4-8-17-15/h3-8H,9-14H2,1-2H3/b7-5+.
What are the key properties of (E)-4-(dimethylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]but-2-en-1-one?
(E)-4-(dimethylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]but-2-en-1-one has a molecular weight of 288.40 g/mol, XLogP of 0.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(dimethylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]but-2-en-1-one is sourced from PubChem (CID 166416165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).