(3Z,4Z,6Z)-N,N-diethyl-3-(fluoromethylidene)-2-piperazin-1-ylocta-4,6-dienamide

C17H28FN3O — CID 142156936

IUPAC(3Z,4Z,6Z)-N,N-diethyl-3-(fluoromethylidene)-2-piperazin-1-ylocta-4,6-dienamide
SMILESC/C=C\C=C/C(=C/F)C(C(=O)N(CC)CC)N1CCNCC1
InChIInChI=1S/C17H28FN3O/c1-4-7-8-9-15(14-18)16(17(22)20(5-2)6-3)21-12-10-19-11-13-21/h4,7-9,14,16,19H,5-6,10-13H2,1-3H3/b7-4-,9-8-,15-14-
InChIKeyAGSXNXHGFZTVQM-ZYINRLSFSA-N
MW309.43 g/mol
LogP2.11
Rot. Bonds7

About (3Z,4Z,6Z)-N,N-diethyl-3-(fluoromethylidene)-2-piperazin-1-ylocta-4,6-dienamide

(3Z,4Z,6Z)-N,N-diethyl-3-(fluoromethylidene)-2-piperazin-1-ylocta-4,6-dienamide (PubChem CID 142156936) has the molecular formula C17H28FN3O and a molecular weight of 309.43 g/mol. Its IUPAC name is (3Z,4Z,6Z)-N,N-diethyl-3-(fluoromethylidene)-2-piperazin-1-ylocta-4,6-dienamide.

Molecular Properties

Compound Name(3Z,4Z,6Z)-N,N-diethyl-3-(fluoromethylidene)-2-piperazin-1-ylocta-4,6-dienamide
PubChem CID142156936
Molecular FormulaC17H28FN3O
Molecular Weight309.43 g/mol
Exact Mass309.22
IUPAC Name(3Z,4Z,6Z)-N,N-diethyl-3-(fluoromethylidene)-2-piperazin-1-ylocta-4,6-dienamide
SMILESC/C=C\C=C/C(=C/F)C(C(=O)N(CC)CC)N1CCNCC1
InChIInChI=1S/C17H28FN3O/c1-4-7-8-9-15(14-18)16(17(22)20(5-2)6-3)21-12-10-19-11-13-21/h4,7-9,14,16,19H,5-6,10-13H2,1-3H3/b7-4-,9-8-,15-14-
InChIKeyAGSXNXHGFZTVQM-ZYINRLSFSA-N
XLogP2.11
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3Z,4Z,6Z)-N,N-diethyl-3-(fluoromethylidene)-2-piperazin-1-ylocta-4,6-dienamide with MolForge

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Related Compounds

(2R)-1-[4-(4,5-difluorocyclohexa-1,5-dien-1-yl)piperidin-1-yl]-3-methyl-2-(3-methylbutylamino)butan-1-one
CID 58457839
2-(dimethylamino)-1-[4-[(4Z)-6-fluoro-3-methylidenehepta-4,6-dien-2-yl]piperazin-1-yl]ethanone
CID 59105286
2-(methylamino)-N-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide
CID 70812911
2-(Dimethylamino)-1-[4-(6-fluoro-3-methylidenehepta-4,6-dien-2-yl)piperazin-1-yl]ethanone
CID 72518151
(2Z,4Z)-1-(2-ethyl-6-methylpiperazin-1-yl)-2-methyl-3-(trifluoromethyl)octa-2,4,7-trien-1-one
CID 91312680
2-[[(4E,5Z,8Z,10E)-4-ethylidene-9,11-difluoro-8-methyldodeca-5,8,10-trien-3-yl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 135265860
4-[(3E)-3-[(Z)-but-2-enylidene]-4-methylidenepiperidin-1-yl]-N-[(3E,5E)-3-methyl-6-(trifluoromethyl)octa-3,5,7-trien-2-yl]-4-oxobutanamide
CID 143478606
N-[(2S)-1-aminopropan-2-yl]-3-(2-fluorocyclohexa-1,5-dien-1-yl)propanamide
CID 145077823
(3Z,5Z)-N-(4,4-difluorocyclohexyl)-3-ethenyl-2-(prop-2-enylamino)-4-(trifluoromethyl)hepta-3,5-dienamide
CID 166078128
(3E,5E)-N-(4,4-difluorocyclohexyl)-3-ethenyl-5-fluoro-2-(prop-2-enylamino)hepta-3,5-dienamide;molecular hydrogen
CID 166078277
(3Z,4Z)-2-[4-(azetidin-3-ylmethyl)piperazin-1-yl]-3-(1-fluoroethylidene)-N-methylhepta-4,6-dienamide
CID 176581434
2-amino-3,3,3-trifluoro-N-[(2S)-1-[[(5S)-3-methyl-4-oxo-2,5,8,9-tetrahydro-1H-3-benzazepin-5-yl]amino]-1-oxopropan-2-yl]propanamide
CID 9865091

Frequently Asked Questions

What is the IUPAC name of (3Z,4Z,6Z)-N,N-diethyl-3-(fluoromethylidene)-2-piperazin-1-ylocta-4,6-dienamide?
The IUPAC name of (3Z,4Z,6Z)-N,N-diethyl-3-(fluoromethylidene)-2-piperazin-1-ylocta-4,6-dienamide (CID 142156936) is (3Z,4Z,6Z)-N,N-diethyl-3-(fluoromethylidene)-2-piperazin-1-ylocta-4,6-dienamide.
What is the SMILES notation for (3Z,4Z,6Z)-N,N-diethyl-3-(fluoromethylidene)-2-piperazin-1-ylocta-4,6-dienamide?
The canonical SMILES for (3Z,4Z,6Z)-N,N-diethyl-3-(fluoromethylidene)-2-piperazin-1-ylocta-4,6-dienamide is C/C=C\C=C/C(=C/F)C(C(=O)N(CC)CC)N1CCNCC1.
What is the InChIKey of (3Z,4Z,6Z)-N,N-diethyl-3-(fluoromethylidene)-2-piperazin-1-ylocta-4,6-dienamide?
The InChIKey is AGSXNXHGFZTVQM-ZYINRLSFSA-N. The full InChI is InChI=1S/C17H28FN3O/c1-4-7-8-9-15(14-18)16(17(22)20(5-2)6-3)21-12-10-19-11-13-21/h4,7-9,14,16,19H,5-6,10-13H2,1-3H3/b7-4-,9-8-,15-14-.
What are the key properties of (3Z,4Z,6Z)-N,N-diethyl-3-(fluoromethylidene)-2-piperazin-1-ylocta-4,6-dienamide?
(3Z,4Z,6Z)-N,N-diethyl-3-(fluoromethylidene)-2-piperazin-1-ylocta-4,6-dienamide has a molecular weight of 309.43 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,4Z,6Z)-N,N-diethyl-3-(fluoromethylidene)-2-piperazin-1-ylocta-4,6-dienamide is sourced from PubChem (CID 142156936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).