[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methylideneamino]urea

C14H21N5O — CID 168532010

IUPAC[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methylideneamino]urea
SMILESCN1CCN(Cc2ccc(C=NNC(N)=O)cc2)CC1
InChIInChI=1S/C14H21N5O/c1-18-6-8-19(9-7-18)11-13-4-2-12(3-5-13)10-16-17-14(15)20/h2-5,10H,6-9,11H2,1H3,(H3,15,17,20)
InChIKeySPKOUULVUWHTPF-UHFFFAOYSA-N
MW275.36 g/mol
LogP0.44
Rot. Bonds4

About [[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methylideneamino]urea

[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methylideneamino]urea (PubChem CID 168532010) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is [[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methylideneamino]urea.

Molecular Properties

Compound Name[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methylideneamino]urea
PubChem CID168532010
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methylideneamino]urea
SMILESCN1CCN(Cc2ccc(C=NNC(N)=O)cc2)CC1
InChIInChI=1S/C14H21N5O/c1-18-6-8-19(9-7-18)11-13-4-2-12(3-5-13)10-16-17-14(15)20/h2-5,10H,6-9,11H2,1H3,(H3,15,17,20)
InChIKeySPKOUULVUWHTPF-UHFFFAOYSA-N
XLogP0.44
TPSA73.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.44
H-Bond Donors ≤ 52
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'}

Analyze [[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methylideneamino]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methylideneamino]urea
CID 168533820
tert-butyl 4-[[4-[(carbamoylhydrazinylidene)methyl]phenyl]methyl]piperazine-1-carboxylate
CID 168533775
[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylideneamino]urea
CID 168533454
[[3-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylideneamino]urea
CID 168532117
[[4-[[di(propan-2-yl)amino]methyl]phenyl]methylideneamino]urea
CID 168532139
N-[(Z)-(4-methylphenyl)methylideneamino]-3-(4-methylpiperazin-1-yl)propanamide
CID 5407042
N-[(4-tert-butylphenyl)methylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 1390261
4-[(4-methylpiperazin-1-yl)methyl]benzaldehyde;dihydrochloride
CID 87711425
4-(morpholin-4-ylmethyl)-N-[(Z)-[4-[(Z)-[[4-(morpholin-4-ylmethyl)benzoyl]hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 98123916
[(Z)-(4-chlorophenyl)methylideneamino]urea
CID 6079769
4-[(4-benzylpiperazin-1-yl)methyl]-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]benzamide
CID 92662313
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-(4-fluorophenyl)methylideneamino]acetamide
CID 6868355

Frequently Asked Questions

What is the IUPAC name of [[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methylideneamino]urea?
The IUPAC name of [[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methylideneamino]urea (CID 168532010) is [[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methylideneamino]urea.
What is the SMILES notation for [[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methylideneamino]urea?
The canonical SMILES for [[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methylideneamino]urea is CN1CCN(Cc2ccc(C=NNC(N)=O)cc2)CC1.
What is the InChIKey of [[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methylideneamino]urea?
The InChIKey is SPKOUULVUWHTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-18-6-8-19(9-7-18)11-13-4-2-12(3-5-13)10-16-17-14(15)20/h2-5,10H,6-9,11H2,1H3,(H3,15,17,20).
What are the key properties of [[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methylideneamino]urea?
[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methylideneamino]urea has a molecular weight of 275.36 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methylideneamino]urea is sourced from PubChem (CID 168532010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).