[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylideneamino]urea

C14H19N5O2 — CID 168533454

IUPAC[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylideneamino]urea
SMILESCN1CCN(C(=O)c2ccc(C=NNC(N)=O)cc2)CC1
InChIInChI=1S/C14H19N5O2/c1-18-6-8-19(9-7-18)13(20)12-4-2-11(3-5-12)10-16-17-14(15)21/h2-5,10H,6-9H2,1H3,(H3,15,17,21)
InChIKeyMRENPBQMQGDBSD-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.08
Rot. Bonds3

About [[4-(4-methylpiperazine-1-carbonyl)phenyl]methylideneamino]urea

[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylideneamino]urea (PubChem CID 168533454) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is [[4-(4-methylpiperazine-1-carbonyl)phenyl]methylideneamino]urea.

Molecular Properties

Compound Name[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylideneamino]urea
PubChem CID168533454
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylideneamino]urea
SMILESCN1CCN(C(=O)c2ccc(C=NNC(N)=O)cc2)CC1
InChIInChI=1S/C14H19N5O2/c1-18-6-8-19(9-7-18)13(20)12-4-2-11(3-5-12)10-16-17-14(15)21/h2-5,10H,6-9H2,1H3,(H3,15,17,21)
InChIKeyMRENPBQMQGDBSD-UHFFFAOYSA-N
XLogP0.08
TPSA91.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.08
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'}

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Related Compounds

[[4-(morpholine-4-carbonyl)phenyl]methylideneamino]urea
CID 168533261
2-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylideneamino]guanidine
CID 168591843
(4-methylpiperazin-1-yl)-[4-[(phenylhydrazinylidene)methyl]phenyl]methanone
CID 169383570
4-(4-methylpiperazine-1-carbonyl)benzamide
CID 60645843
[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methylideneamino]urea
CID 168532010
4-[(carbamoylhydrazinylidene)methyl]benzoic acid
CID 2588651
[[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methylideneamino]urea
CID 168533820
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]formamide
CID 58761975
4-(4-methylpiperazine-1-carbonyl)benzoic acid;hydrochloride
CID 142705499
[4-(4-methylanilino)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 58968593
[(Z)-(4-chlorophenyl)methylideneamino]urea
CID 6079769
[4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate
CID 5416155

Frequently Asked Questions

What is the IUPAC name of [[4-(4-methylpiperazine-1-carbonyl)phenyl]methylideneamino]urea?
The IUPAC name of [[4-(4-methylpiperazine-1-carbonyl)phenyl]methylideneamino]urea (CID 168533454) is [[4-(4-methylpiperazine-1-carbonyl)phenyl]methylideneamino]urea.
What is the SMILES notation for [[4-(4-methylpiperazine-1-carbonyl)phenyl]methylideneamino]urea?
The canonical SMILES for [[4-(4-methylpiperazine-1-carbonyl)phenyl]methylideneamino]urea is CN1CCN(C(=O)c2ccc(C=NNC(N)=O)cc2)CC1.
What is the InChIKey of [[4-(4-methylpiperazine-1-carbonyl)phenyl]methylideneamino]urea?
The InChIKey is MRENPBQMQGDBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-18-6-8-19(9-7-18)13(20)12-4-2-11(3-5-12)10-16-17-14(15)21/h2-5,10H,6-9H2,1H3,(H3,15,17,21).
What are the key properties of [[4-(4-methylpiperazine-1-carbonyl)phenyl]methylideneamino]urea?
[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylideneamino]urea has a molecular weight of 289.34 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-(4-methylpiperazine-1-carbonyl)phenyl]methylideneamino]urea is sourced from PubChem (CID 168533454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).