N-(benzylideneamino)-3-(4-phenylpiperazin-1-yl)propanamide

C20H24N4O — CID 2692809

IUPACN-(benzylideneamino)-3-(4-phenylpiperazin-1-yl)propanamide
SMILESO=C(CCN1CCN(c2ccccc2)CC1)NN=Cc1ccccc1
InChIInChI=1S/C20H24N4O/c25-20(22-21-17-18-7-3-1-4-8-18)11-12-23-13-15-24(16-14-23)19-9-5-2-6-10-19/h1-10,17H,11-16H2,(H,22,25)
InChIKeyCFRAUGGPFNAJNQ-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.35
Rot. Bonds6

About N-(benzylideneamino)-3-(4-phenylpiperazin-1-yl)propanamide

N-(benzylideneamino)-3-(4-phenylpiperazin-1-yl)propanamide (PubChem CID 2692809) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is N-(benzylideneamino)-3-(4-phenylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(benzylideneamino)-3-(4-phenylpiperazin-1-yl)propanamide
PubChem CID2692809
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC NameN-(benzylideneamino)-3-(4-phenylpiperazin-1-yl)propanamide
SMILESO=C(CCN1CCN(c2ccccc2)CC1)NN=Cc1ccccc1
InChIInChI=1S/C20H24N4O/c25-20(22-21-17-18-7-3-1-4-8-18)11-12-23-13-15-24(16-14-23)19-9-5-2-6-10-19/h1-10,17H,11-16H2,(H,22,25)
InChIKeyCFRAUGGPFNAJNQ-UHFFFAOYSA-N
XLogP2.35
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.35
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-[(4-fluorophenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide
CID 2692829
N-[(3-chlorophenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide
CID 2477195
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
N-[(Z)-(4-methylphenyl)methylideneamino]-3-(4-methylpiperazin-1-yl)propanamide
CID 5407042
3-(4-benzhydrylpiperazin-1-yl)-N-[(Z)-(4-chlorophenyl)methylideneamino]propanamide
CID 6021675
N-(cyclohexylideneamino)-3-(4-phenylpiperazin-1-yl)propanamide
CID 7955784
N-[(E)-(4-bromophenyl)methylideneamino]-3-piperidin-1-ylpropanamide
CID 5346912
N-[(E)-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide
CID 42991252
N-(benzylideneamino)-2-(4-ethylpiperazin-1-yl)acetamide
CID 791586
N-(4-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride
CID 19661863

Frequently Asked Questions

What is the IUPAC name of N-(benzylideneamino)-3-(4-phenylpiperazin-1-yl)propanamide?
The IUPAC name of N-(benzylideneamino)-3-(4-phenylpiperazin-1-yl)propanamide (CID 2692809) is N-(benzylideneamino)-3-(4-phenylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(benzylideneamino)-3-(4-phenylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(benzylideneamino)-3-(4-phenylpiperazin-1-yl)propanamide is O=C(CCN1CCN(c2ccccc2)CC1)NN=Cc1ccccc1.
What is the InChIKey of N-(benzylideneamino)-3-(4-phenylpiperazin-1-yl)propanamide?
The InChIKey is CFRAUGGPFNAJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c25-20(22-21-17-18-7-3-1-4-8-18)11-12-23-13-15-24(16-14-23)19-9-5-2-6-10-19/h1-10,17H,11-16H2,(H,22,25).
What are the key properties of N-(benzylideneamino)-3-(4-phenylpiperazin-1-yl)propanamide?
N-(benzylideneamino)-3-(4-phenylpiperazin-1-yl)propanamide has a molecular weight of 336.44 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylideneamino)-3-(4-phenylpiperazin-1-yl)propanamide is sourced from PubChem (CID 2692809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).