N-[(4-fluorophenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide

C20H23FN4O — CID 2692829

IUPACN-[(4-fluorophenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide
SMILESO=C(CCN1CCN(c2ccccc2)CC1)NN=Cc1ccc(F)cc1
InChIInChI=1S/C20H23FN4O/c21-18-8-6-17(7-9-18)16-22-23-20(26)10-11-24-12-14-25(15-13-24)19-4-2-1-3-5-19/h1-9,16H,10-15H2,(H,23,26)
InChIKeyBTPBKYVSIGOYMC-UHFFFAOYSA-N
MW354.43 g/mol
LogP2.49
Rot. Bonds6

About N-[(4-fluorophenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide

N-[(4-fluorophenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide (PubChem CID 2692829) has the molecular formula C20H23FN4O and a molecular weight of 354.43 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide
PubChem CID2692829
Molecular FormulaC20H23FN4O
Molecular Weight354.43 g/mol
Exact Mass354.19
IUPAC NameN-[(4-fluorophenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide
SMILESO=C(CCN1CCN(c2ccccc2)CC1)NN=Cc1ccc(F)cc1
InChIInChI=1S/C20H23FN4O/c21-18-8-6-17(7-9-18)16-22-23-20(26)10-11-24-12-14-25(15-13-24)19-4-2-1-3-5-19/h1-9,16H,10-15H2,(H,23,26)
InChIKeyBTPBKYVSIGOYMC-UHFFFAOYSA-N
XLogP2.49
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(benzylideneamino)-3-(4-phenylpiperazin-1-yl)propanamide
CID 2692809
N-[(3-chlorophenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide
CID 2477195
N-[(E)-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide
CID 42991252
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide
CID 135852632
N-[(E)-(10-chloroanthracen-9-yl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide
CID 16555946
3-(4-benzylpiperazin-1-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]propanamide
CID 136714219
2-(4-fluorophenyl)-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide
CID 126242971
N-[(Z)-(4-methylphenyl)methylideneamino]-3-(4-methylpiperazin-1-yl)propanamide
CID 5407042
N,N'-bis[(Z)-(4-fluorophenyl)methylideneamino]decanediamide
CID 6277081
3-(4-benzhydrylpiperazin-1-yl)-N-[(Z)-(4-chlorophenyl)methylideneamino]propanamide
CID 6021675
(2E)-2-[(4-fluorophenyl)methylidene]-1-phenyl-4-(4-phenylpiperazin-1-yl)butan-1-one
CID 12022043
N-[(E)-(4-fluorophenyl)methylideneamino]-2-phenylacetamide
CID 6899001

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide?
The IUPAC name of N-[(4-fluorophenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide (CID 2692829) is N-[(4-fluorophenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide?
The canonical SMILES for N-[(4-fluorophenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide is O=C(CCN1CCN(c2ccccc2)CC1)NN=Cc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide?
The InChIKey is BTPBKYVSIGOYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O/c21-18-8-6-17(7-9-18)16-22-23-20(26)10-11-24-12-14-25(15-13-24)19-4-2-1-3-5-19/h1-9,16H,10-15H2,(H,23,26).
What are the key properties of N-[(4-fluorophenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide?
N-[(4-fluorophenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide has a molecular weight of 354.43 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide is sourced from PubChem (CID 2692829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).