[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methylideneamino]urea

C15H23N5O — CID 168533510

IUPAC[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methylideneamino]urea
SMILESCC(C)N1CCN(c2ccc(C=NNC(N)=O)cc2)CC1
InChIInChI=1S/C15H23N5O/c1-12(2)19-7-9-20(10-8-19)14-5-3-13(4-6-14)11-17-18-15(16)21/h3-6,11-12H,7-10H2,1-2H3,(H3,16,18,21)
InChIKeyKTULLOIYGRQCFB-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.22
Rot. Bonds4

About [[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methylideneamino]urea

[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methylideneamino]urea (PubChem CID 168533510) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is [[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methylideneamino]urea.

Molecular Properties

Compound Name[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methylideneamino]urea
PubChem CID168533510
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methylideneamino]urea
SMILESCC(C)N1CCN(c2ccc(C=NNC(N)=O)cc2)CC1
InChIInChI=1S/C15H23N5O/c1-12(2)19-7-9-20(10-8-19)14-5-3-13(4-6-14)11-17-18-15(16)21/h3-6,11-12H,7-10H2,1-2H3,(H3,16,18,21)
InChIKeyKTULLOIYGRQCFB-UHFFFAOYSA-N
XLogP1.22
TPSA73.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.22
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-propan-2-ylpiperazin-1-yl)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

(E)-3-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]prop-2-enoic acid
CID 43585529
1-(4-ethenylphenyl)-4-propan-2-ylpiperazine
CID 141311274
[4-[(E)-(carbamoylhydrazinylidene)methyl]phenyl]-trimethylazanium
CID 6864967
4-[(carbamoylhydrazinylidene)methyl]benzoic acid
CID 2588651
[(Z)-(1-propan-2-ylpyrrol-3-yl)methylideneamino]urea
CID 50853959
ethyl N-[(E)-(4-piperidin-1-ylphenyl)methylideneamino]carbamate
CID 6910070
methyl 4-(4-propan-2-ylpiperazin-1-yl)benzoate
CID 69129778
[(Z)-(4-chlorophenyl)methylideneamino]urea
CID 6079769
[(4-morpholin-4-ylphenyl)methylideneamino]thiourea
CID 957717
[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylideneamino]urea
CID 168533454
[[4-(morpholine-4-carbonyl)phenyl]methylideneamino]urea
CID 168533261
[(E)-benzylideneamino]urea
CID 6861419

Frequently Asked Questions

What is the IUPAC name of [[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methylideneamino]urea?
The IUPAC name of [[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methylideneamino]urea (CID 168533510) is [[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methylideneamino]urea.
What is the SMILES notation for [[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methylideneamino]urea?
The canonical SMILES for [[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methylideneamino]urea is CC(C)N1CCN(c2ccc(C=NNC(N)=O)cc2)CC1.
What is the InChIKey of [[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methylideneamino]urea?
The InChIKey is KTULLOIYGRQCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-12(2)19-7-9-20(10-8-19)14-5-3-13(4-6-14)11-17-18-15(16)21/h3-6,11-12H,7-10H2,1-2H3,(H3,16,18,21).
What are the key properties of [[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methylideneamino]urea?
[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methylideneamino]urea has a molecular weight of 289.38 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methylideneamino]urea is sourced from PubChem (CID 168533510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).