1-[4-(5,6-dimethylidene-3-pyridinyl)piperazin-1-yl]ethanone

C13H17N3O — CID 123215190

IUPAC1-[4-(5,6-dimethylidene-3-pyridinyl)piperazin-1-yl]ethanone
SMILESC=c1cc(N2CCN(C(C)=O)CC2)cnc1=C
InChIInChI=1S/C13H17N3O/c1-10-8-13(9-14-11(10)2)16-6-4-15(5-7-16)12(3)17/h8-9H,1-2,4-7H2,3H3
InChIKeyZLDGNEFGBOIFEM-UHFFFAOYSA-N
MW231.30 g/mol
LogP-0.43
Rot. Bonds1

About 1-[4-(5,6-dimethylidene-3-pyridinyl)piperazin-1-yl]ethanone

1-[4-(5,6-dimethylidene-3-pyridinyl)piperazin-1-yl]ethanone (PubChem CID 123215190) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-[4-(5,6-dimethylidene-3-pyridinyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(5,6-dimethylidene-3-pyridinyl)piperazin-1-yl]ethanone
PubChem CID123215190
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-[4-(5,6-dimethylidene-3-pyridinyl)piperazin-1-yl]ethanone
SMILESC=c1cc(N2CCN(C(C)=O)CC2)cnc1=C
InChIInChI=1S/C13H17N3O/c1-10-8-13(9-14-11(10)2)16-6-4-15(5-7-16)12(3)17/h8-9H,1-2,4-7H2,3H3
InChIKeyZLDGNEFGBOIFEM-UHFFFAOYSA-N
XLogP-0.43
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 5-0.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3,4-Dihydropyridin-6-ylmethyl)piperazin-1-yl]ethanone
CID 70284796
1-[4-[(E)-1-ethenyliminopent-2-en-2-yl]piperazin-1-yl]ethanone
CID 132040100
ethane;4-methyl-1-(3-methyl-2H-azepin-6-yl)piperazin-2-one
CID 145197846
(5Z)-1,4-dimethyl-5-(2-methylprop-2-enylidene)piperazin-2-one;ethane
CID 153556868
(2Z,4Z)-4-methyl-2-(methylideneamino)-1-(4-prop-1-en-2-ylpiperazin-1-yl)hexa-2,4-dien-1-one;propane
CID 171811580
1-(4-Methylbenzene-5-id-1-yl)pyrazin-2-one;yttrium
CID 172336858
1-[4-(6-Methylcyclohexa-1,5-dien-1-yl)piperazin-1-yl]ethanone
CID 173071102
4-methyl-1-(3-methyl-2H-azepin-6-yl)piperazin-2-one
CID 145197847
(5Z)-1,4-dimethyl-5-(2-methylprop-2-enylidene)piperazin-2-one
CID 153556869
(2Z,4Z)-4-methyl-2-(methylideneamino)-1-(4-prop-1-en-2-ylpiperazin-1-yl)hexa-2,4-dien-1-one
CID 171811581

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5,6-dimethylidene-3-pyridinyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(5,6-dimethylidene-3-pyridinyl)piperazin-1-yl]ethanone (CID 123215190) is 1-[4-(5,6-dimethylidene-3-pyridinyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(5,6-dimethylidene-3-pyridinyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(5,6-dimethylidene-3-pyridinyl)piperazin-1-yl]ethanone is C=c1cc(N2CCN(C(C)=O)CC2)cnc1=C.
What is the InChIKey of 1-[4-(5,6-dimethylidene-3-pyridinyl)piperazin-1-yl]ethanone?
The InChIKey is ZLDGNEFGBOIFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10-8-13(9-14-11(10)2)16-6-4-15(5-7-16)12(3)17/h8-9H,1-2,4-7H2,3H3.
What are the key properties of 1-[4-(5,6-dimethylidene-3-pyridinyl)piperazin-1-yl]ethanone?
1-[4-(5,6-dimethylidene-3-pyridinyl)piperazin-1-yl]ethanone has a molecular weight of 231.30 g/mol, XLogP of -0.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5,6-dimethylidene-3-pyridinyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 123215190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).