3-(4-benzylpiperazin-1-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]propanamide

C21H26N4O2 — CID 136714219

IUPAC3-(4-benzylpiperazin-1-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]propanamide
SMILESO=C(CCN1CCN(Cc2ccccc2)CC1)N/N=C\c1ccc(O)cc1
InChIInChI=1S/C21H26N4O2/c26-20-8-6-18(7-9-20)16-22-23-21(27)10-11-24-12-14-25(15-13-24)17-19-4-2-1-3-5-19/h1-9,16,26H,10-15,17H2,(H,23,27)/b22-16-
InChIKeyILZXICBQLHQQFD-JWGURIENSA-N
MW366.47 g/mol
LogP2.05
Rot. Bonds7

About 3-(4-benzylpiperazin-1-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]propanamide

3-(4-benzylpiperazin-1-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]propanamide (PubChem CID 136714219) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 3-(4-benzylpiperazin-1-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name3-(4-benzylpiperazin-1-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]propanamide
PubChem CID136714219
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name3-(4-benzylpiperazin-1-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]propanamide
SMILESO=C(CCN1CCN(Cc2ccccc2)CC1)N/N=C\c1ccc(O)cc1
InChIInChI=1S/C21H26N4O2/c26-20-8-6-18(7-9-20)16-22-23-21(27)10-11-24-12-14-25(15-13-24)17-19-4-2-1-3-5-19/h1-9,16,26H,10-15,17H2,(H,23,27)/b22-16-
InChIKeyILZXICBQLHQQFD-JWGURIENSA-N
XLogP2.05
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'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-[(4-fluorophenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide
CID 2692829
3-(4-benzhydrylpiperazin-1-yl)-N-[(Z)-(4-chlorophenyl)methylideneamino]propanamide
CID 6021675
N,N'-bis[(Z)-(4-hydroxyphenyl)methylideneamino]butanediamide
CID 136704221
N-[(Z)-(4-methylphenyl)methylideneamino]-3-(4-methylpiperazin-1-yl)propanamide
CID 5407042
N-[(3-chlorophenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide
CID 2477195
2-chloro-N-[(Z)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 136884201
N-[(E)-(4-bromophenyl)methylideneamino]-3-piperidin-1-ylpropanamide
CID 5346912
3-(4-benzyl-1,4-diazepan-1-yl)-N-carbamoylpropanamide
CID 134033685
2-(4-benzylpiperazin-1-yl)-N-[(3-methylphenyl)methylideneamino]acetamide
CID 3714192
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide
CID 135852632
3-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide
CID 1342605

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperazin-1-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]propanamide?
The IUPAC name of 3-(4-benzylpiperazin-1-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]propanamide (CID 136714219) is 3-(4-benzylpiperazin-1-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]propanamide.
What is the SMILES notation for 3-(4-benzylpiperazin-1-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]propanamide?
The canonical SMILES for 3-(4-benzylpiperazin-1-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]propanamide is O=C(CCN1CCN(Cc2ccccc2)CC1)N/N=C\c1ccc(O)cc1.
What is the InChIKey of 3-(4-benzylpiperazin-1-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]propanamide?
The InChIKey is ILZXICBQLHQQFD-JWGURIENSA-N. The full InChI is InChI=1S/C21H26N4O2/c26-20-8-6-18(7-9-20)16-22-23-21(27)10-11-24-12-14-25(15-13-24)17-19-4-2-1-3-5-19/h1-9,16,26H,10-15,17H2,(H,23,27)/b22-16-.
What are the key properties of 3-(4-benzylpiperazin-1-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]propanamide?
3-(4-benzylpiperazin-1-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]propanamide has a molecular weight of 366.47 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperazin-1-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]propanamide is sourced from PubChem (CID 136714219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).