N-[(Z)-(4-methylphenyl)methylideneamino]-3-(4-methylpiperazin-1-yl)propanamide

C16H24N4O — CID 5407042

IUPACN-[(Z)-(4-methylphenyl)methylideneamino]-3-(4-methylpiperazin-1-yl)propanamide
SMILESCc1ccc(/C=N\NC(=O)CCN2CCN(C)CC2)cc1
InChIInChI=1S/C16H24N4O/c1-14-3-5-15(6-4-14)13-17-18-16(21)7-8-20-11-9-19(2)10-12-20/h3-6,13H,7-12H2,1-2H3,(H,18,21)/b17-13-
InChIKeyUUUFWYCJMVPAFI-LGMDPLHJSA-N
MW288.39 g/mol
LogP1.08
Rot. Bonds5

About N-[(Z)-(4-methylphenyl)methylideneamino]-3-(4-methylpiperazin-1-yl)propanamide

N-[(Z)-(4-methylphenyl)methylideneamino]-3-(4-methylpiperazin-1-yl)propanamide (PubChem CID 5407042) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[(Z)-(4-methylphenyl)methylideneamino]-3-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(Z)-(4-methylphenyl)methylideneamino]-3-(4-methylpiperazin-1-yl)propanamide
PubChem CID5407042
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-[(Z)-(4-methylphenyl)methylideneamino]-3-(4-methylpiperazin-1-yl)propanamide
SMILESCc1ccc(/C=N\NC(=O)CCN2CCN(C)CC2)cc1
InChIInChI=1S/C16H24N4O/c1-14-3-5-15(6-4-14)13-17-18-16(21)7-8-20-11-9-19(2)10-12-20/h3-6,13H,7-12H2,1-2H3,(H,18,21)/b17-13-
InChIKeyUUUFWYCJMVPAFI-LGMDPLHJSA-N
XLogP1.08
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.08
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-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-(4-methylpiperazin-1-yl)propanamide
CID 6893322
N-(benzylideneamino)-3-(4-phenylpiperazin-1-yl)propanamide
CID 2692809
N-[(4-methylphenyl)methylideneamino]-2-piperidin-1-ylacetamide
CID 682337
N-[(E)-(4-bromophenyl)methylideneamino]-3-piperidin-1-ylpropanamide
CID 5346912
N-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;dihydrochloride
CID 19661853
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide
CID 170856208
3-(4-benzylpiperazin-1-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]propanamide
CID 136714219
N-[(4-fluorophenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide
CID 2692829
N-[(E)-(4-methylphenyl)methylideneamino]octanamide
CID 6042307
N-[(Z)-(3,4-difluorophenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide
CID 5406234
N-(1H-indol-3-ylmethylideneamino)-3-(4-methylpiperazin-1-yl)propanamide
CID 790904
[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methylideneamino]urea
CID 168532010

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-methylphenyl)methylideneamino]-3-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of N-[(Z)-(4-methylphenyl)methylideneamino]-3-(4-methylpiperazin-1-yl)propanamide (CID 5407042) is N-[(Z)-(4-methylphenyl)methylideneamino]-3-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-[(Z)-(4-methylphenyl)methylideneamino]-3-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for N-[(Z)-(4-methylphenyl)methylideneamino]-3-(4-methylpiperazin-1-yl)propanamide is Cc1ccc(/C=N\NC(=O)CCN2CCN(C)CC2)cc1.
What is the InChIKey of N-[(Z)-(4-methylphenyl)methylideneamino]-3-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is UUUFWYCJMVPAFI-LGMDPLHJSA-N. The full InChI is InChI=1S/C16H24N4O/c1-14-3-5-15(6-4-14)13-17-18-16(21)7-8-20-11-9-19(2)10-12-20/h3-6,13H,7-12H2,1-2H3,(H,18,21)/b17-13-.
What are the key properties of N-[(Z)-(4-methylphenyl)methylideneamino]-3-(4-methylpiperazin-1-yl)propanamide?
N-[(Z)-(4-methylphenyl)methylideneamino]-3-(4-methylpiperazin-1-yl)propanamide has a molecular weight of 288.39 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-methylphenyl)methylideneamino]-3-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 5407042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).