(3E)-N'-fluoro-2-[1-(1-phenylethenyl)piperidin-4-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dienehydrazide

C22H28FN3O — CID 145487437

IUPAC(3E)-N'-fluoro-2-[1-(1-phenylethenyl)piperidin-4-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dienehydrazide
SMILESC=C/C=C(\C=C/C)C(C(=O)NNF)C1CCN(C(=C)c2ccccc2)CC1
InChIInChI=1S/C22H28FN3O/c1-4-9-19(10-5-2)21(22(27)24-25-23)20-13-15-26(16-14-20)17(3)18-11-7-6-8-12-18/h4-12,20-21,25H,1,3,13-16H2,2H3,(H,24,27)/b10-5-,19-9+
InChIKeyMOOBSEITGVEYEW-ISHQYZRCSA-N
MW369.48 g/mol
LogP4.18
Rot. Bonds8

About (3E)-N'-fluoro-2-[1-(1-phenylethenyl)piperidin-4-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dienehydrazide

(3E)-N'-fluoro-2-[1-(1-phenylethenyl)piperidin-4-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dienehydrazide (PubChem CID 145487437) has the molecular formula C22H28FN3O and a molecular weight of 369.48 g/mol. Its IUPAC name is (3E)-N'-fluoro-2-[1-(1-phenylethenyl)piperidin-4-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dienehydrazide.

Molecular Properties

Compound Name(3E)-N'-fluoro-2-[1-(1-phenylethenyl)piperidin-4-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dienehydrazide
PubChem CID145487437
Molecular FormulaC22H28FN3O
Molecular Weight369.48 g/mol
Exact Mass369.22
IUPAC Name(3E)-N'-fluoro-2-[1-(1-phenylethenyl)piperidin-4-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dienehydrazide
SMILESC=C/C=C(\C=C/C)C(C(=O)NNF)C1CCN(C(=C)c2ccccc2)CC1
InChIInChI=1S/C22H28FN3O/c1-4-9-19(10-5-2)21(22(27)24-25-23)20-13-15-26(16-14-20)17(3)18-11-7-6-8-12-18/h4-12,20-21,25H,1,3,13-16H2,2H3,(H,24,27)/b10-5-,19-9+
InChIKeyMOOBSEITGVEYEW-ISHQYZRCSA-N
XLogP4.18
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-phenyl-N-[(4E)-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-yl]butanamide
CID 167214327
1-(1-phenylethenyl)-4-propan-2-ylpiperazine
CID 122606078
N-[1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(prop-2-enylamino)ethyl]benzamide
CID 46020368
propan-2-yl 4-benzoyloxypiperidine-1-carboxylate
CID 143813196
N-[(1S)-2-[[(2R)-butan-2-yl]amino]-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
CID 93199454
N-[2-(cyclopropylamino)-1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
CID 42840457
benzyl 4-(1-aminopropyl)piperidine-1-carboxylate
CID 154815286
N-[(1S)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(prop-2-enylamino)ethyl]-3-methylbenzamide
CID 93199002
N-[1-(2,2-diphenylacetyl)piperidin-4-yl]-2-ethylbutanamide
CID 108555568
ethene;2-[1-(4-ethenylpiperidin-1-yl)ethenylamino]benzoic acid
CID 143093965
[2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]phenyl]-phenylmethanone
CID 110022807
(3S)-3-methyl-1-(1-phenylethenyl)piperidine
CID 143536748

Frequently Asked Questions

What is the IUPAC name of (3E)-N'-fluoro-2-[1-(1-phenylethenyl)piperidin-4-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dienehydrazide?
The IUPAC name of (3E)-N'-fluoro-2-[1-(1-phenylethenyl)piperidin-4-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dienehydrazide (CID 145487437) is (3E)-N'-fluoro-2-[1-(1-phenylethenyl)piperidin-4-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dienehydrazide.
What is the SMILES notation for (3E)-N'-fluoro-2-[1-(1-phenylethenyl)piperidin-4-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dienehydrazide?
The canonical SMILES for (3E)-N'-fluoro-2-[1-(1-phenylethenyl)piperidin-4-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dienehydrazide is C=C/C=C(\C=C/C)C(C(=O)NNF)C1CCN(C(=C)c2ccccc2)CC1.
What is the InChIKey of (3E)-N'-fluoro-2-[1-(1-phenylethenyl)piperidin-4-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dienehydrazide?
The InChIKey is MOOBSEITGVEYEW-ISHQYZRCSA-N. The full InChI is InChI=1S/C22H28FN3O/c1-4-9-19(10-5-2)21(22(27)24-25-23)20-13-15-26(16-14-20)17(3)18-11-7-6-8-12-18/h4-12,20-21,25H,1,3,13-16H2,2H3,(H,24,27)/b10-5-,19-9+.
What are the key properties of (3E)-N'-fluoro-2-[1-(1-phenylethenyl)piperidin-4-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dienehydrazide?
(3E)-N'-fluoro-2-[1-(1-phenylethenyl)piperidin-4-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dienehydrazide has a molecular weight of 369.48 g/mol, XLogP of 4.18, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N'-fluoro-2-[1-(1-phenylethenyl)piperidin-4-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dienehydrazide is sourced from PubChem (CID 145487437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).