[4-[4-(2-aminoethyl)piperazin-1-yl]-6-(oxomethylidene)cyclohexa-2,4-dien-1-ylidene]methanone

C14H17N3O2 — CID 139644798

IUPAC[4-[4-(2-aminoethyl)piperazin-1-yl]-6-(oxomethylidene)cyclohexa-2,4-dien-1-ylidene]methanone
SMILESNCCN1CCN(c2ccc(=C=O)c(=C=O)c2)CC1
InChIInChI=1S/C14H17N3O2/c15-3-4-16-5-7-17(8-6-16)14-2-1-12(10-18)13(9-14)11-19/h1-2,9H,3-8,15H2
InChIKeyWGBFLYLYGHBCSP-UHFFFAOYSA-N
MW259.31 g/mol
LogP-2.23
Rot. Bonds3

About [4-[4-(2-aminoethyl)piperazin-1-yl]-6-(oxomethylidene)cyclohexa-2,4-dien-1-ylidene]methanone

[4-[4-(2-aminoethyl)piperazin-1-yl]-6-(oxomethylidene)cyclohexa-2,4-dien-1-ylidene]methanone (PubChem CID 139644798) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is [4-[4-(2-aminoethyl)piperazin-1-yl]-6-(oxomethylidene)cyclohexa-2,4-dien-1-ylidene]methanone.

Molecular Properties

Compound Name[4-[4-(2-aminoethyl)piperazin-1-yl]-6-(oxomethylidene)cyclohexa-2,4-dien-1-ylidene]methanone
PubChem CID139644798
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name[4-[4-(2-aminoethyl)piperazin-1-yl]-6-(oxomethylidene)cyclohexa-2,4-dien-1-ylidene]methanone
SMILESNCCN1CCN(c2ccc(=C=O)c(=C=O)c2)CC1
InChIInChI=1S/C14H17N3O2/c15-3-4-16-5-7-17(8-6-16)14-2-1-12(10-18)13(9-14)11-19/h1-2,9H,3-8,15H2
InChIKeyWGBFLYLYGHBCSP-UHFFFAOYSA-N
XLogP-2.23
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-2.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[4-(2-aminoethyl)piperazin-1-yl]-6-(oxomethylidene)cyclohexa-2,4-dien-1-ylidene]methanone with MolForge

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Related Compounds

[6-(Oxomethylidene)-4-(piperazin-1-ylmethyl)cyclohexa-2,4-dien-1-ylidene]methanone
CID 18536284
4-(1-Piperazin-1-ylethenyl)cyclohexa-3,5-diene-1,2-dione
CID 68882548
2-(1,4-Dihydropyridin-2-yl)-2-piperazin-1-ylethenone
CID 88210385
1-(5-Ethenylcyclohexa-1,5-dien-1-yl)piperazine
CID 89340458
[6-(Hydroxymethylidene)-4-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene]methanol
CID 90743393
2-(4-Cyclohexa-1,5-dien-1-ylpiperazin-1-yl)acetamide
CID 122678224
1-(3,4-Dimethylidenecyclohexa-1,5-dien-1-yl)piperazine
CID 123864361
(6-Piperazin-1-ylcyclohexa-2,4-dien-1-ylidene)methanone
CID 123979942
4-(1-Piperazin-1-ylethenyl)cyclohexa-2,4-dien-1-amine
CID 132096194
1-(4-Methylidenecyclohexa-1,5-dien-1-yl)piperazine
CID 153757648
(4-Piperazin-1-ylcyclohexa-2,4-dien-1-ylidene)methanone
CID 160634303
[4-(4-Prop-2-enylpiperazin-2-yl)cyclohexa-2,4-dien-1-ylidene]methanone
CID 173354393

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2-aminoethyl)piperazin-1-yl]-6-(oxomethylidene)cyclohexa-2,4-dien-1-ylidene]methanone?
The IUPAC name of [4-[4-(2-aminoethyl)piperazin-1-yl]-6-(oxomethylidene)cyclohexa-2,4-dien-1-ylidene]methanone (CID 139644798) is [4-[4-(2-aminoethyl)piperazin-1-yl]-6-(oxomethylidene)cyclohexa-2,4-dien-1-ylidene]methanone.
What is the SMILES notation for [4-[4-(2-aminoethyl)piperazin-1-yl]-6-(oxomethylidene)cyclohexa-2,4-dien-1-ylidene]methanone?
The canonical SMILES for [4-[4-(2-aminoethyl)piperazin-1-yl]-6-(oxomethylidene)cyclohexa-2,4-dien-1-ylidene]methanone is NCCN1CCN(c2ccc(=C=O)c(=C=O)c2)CC1.
What is the InChIKey of [4-[4-(2-aminoethyl)piperazin-1-yl]-6-(oxomethylidene)cyclohexa-2,4-dien-1-ylidene]methanone?
The InChIKey is WGBFLYLYGHBCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c15-3-4-16-5-7-17(8-6-16)14-2-1-12(10-18)13(9-14)11-19/h1-2,9H,3-8,15H2.
What are the key properties of [4-[4-(2-aminoethyl)piperazin-1-yl]-6-(oxomethylidene)cyclohexa-2,4-dien-1-ylidene]methanone?
[4-[4-(2-aminoethyl)piperazin-1-yl]-6-(oxomethylidene)cyclohexa-2,4-dien-1-ylidene]methanone has a molecular weight of 259.31 g/mol, XLogP of -2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2-aminoethyl)piperazin-1-yl]-6-(oxomethylidene)cyclohexa-2,4-dien-1-ylidene]methanone is sourced from PubChem (CID 139644798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).