1-(2-chlorophenyl)-3-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]urea

C20H23ClN4O — CID 175672936

IUPAC1-(2-chlorophenyl)-3-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]urea
SMILESC/C(=N\NC(=O)Nc1ccccc1Cl)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C20H23ClN4O/c1-15(23-24-20(26)22-19-8-4-3-7-18(19)21)16-9-11-17(12-10-16)25-13-5-2-6-14-25/h3-4,7-12H,2,5-6,13-14H2,1H3,(H2,22,24,26)/b23-15+
InChIKeyQVOMGFINMWOLEB-HZHRSRAPSA-N
MW370.88 g/mol
LogP4.88
Rot. Bonds4

About 1-(2-chlorophenyl)-3-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]urea

1-(2-chlorophenyl)-3-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]urea (PubChem CID 175672936) has the molecular formula C20H23ClN4O and a molecular weight of 370.88 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]urea
PubChem CID175672936
Molecular FormulaC20H23ClN4O
Molecular Weight370.88 g/mol
Exact Mass370.16
IUPAC Name1-(2-chlorophenyl)-3-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]urea
SMILESC/C(=N\NC(=O)Nc1ccccc1Cl)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C20H23ClN4O/c1-15(23-24-20(26)22-19-8-4-3-7-18(19)21)16-9-11-17(12-10-16)25-13-5-2-6-14-25/h3-4,7-12H,2,5-6,13-14H2,1H3,(H2,22,24,26)/b23-15+
InChIKeyQVOMGFINMWOLEB-HZHRSRAPSA-N
XLogP4.88
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(2E)-2-[4-(diethylamino)benzylidene]-N-phenylhydrazinecarboxamide
CID 5406562
N-(2-chlorophenyl)-N'-{4-[(4-ethyl-1-piperazinyl)methyl]phenyl}urea
CID 5307266
1-(2-Chlorophenyl)-3-[4-(1-piperidinylmethyl)phenyl]urea
CID 6464249
1H-Pyrazole-1-carboxamide, 4,5-dihydro-3-(4-chlorophenyl)-N-(4-propylphenyl)-
CID 3039559
1-(3-chloro-2-methyl-phenyl)-3-[(E)-(4-dimethylaminophenyl)methyleneamino]urea
CID 9567649
1-(2-chlorophenyl)-3-[(E)-(6-fluoro-2,3-dihydroselenochromen-4-ylidene)amino]urea
CID 155542425
1-(Benzhydrylideneamino)-3-[4-[(dimethylamino)methyl]phenyl]urea
CID 155542632
1-(Benzhydrylideneamino)-3-[4-(diethylaminomethyl)phenyl]urea
CID 155544542
1-(2-chlorophenyl)-3-[(E)-(6-methyl-2,3-dihydroselenochromen-4-ylidene)amino]urea
CID 155562493
1-(Benzhydrylideneamino)-3-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]urea
CID 155568362
4-(2-chlorophenyl)-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]piperazine-1-carboxamide
CID 178319892
N-(4-sec-butylphenyl)-3-(4-chlorophenyl)-4-phenyl-4,5-dihydro-1H-pyrazole-1-carboxamide
CID 56688626

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]urea (CID 175672936) is 1-(2-chlorophenyl)-3-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]urea is C/C(=N\NC(=O)Nc1ccccc1Cl)c1ccc(N2CCCCC2)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-3-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]urea?
The InChIKey is QVOMGFINMWOLEB-HZHRSRAPSA-N. The full InChI is InChI=1S/C20H23ClN4O/c1-15(23-24-20(26)22-19-8-4-3-7-18(19)21)16-9-11-17(12-10-16)25-13-5-2-6-14-25/h3-4,7-12H,2,5-6,13-14H2,1H3,(H2,22,24,26)/b23-15+.
What are the key properties of 1-(2-chlorophenyl)-3-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]urea?
1-(2-chlorophenyl)-3-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]urea has a molecular weight of 370.88 g/mol, XLogP of 4.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]urea is sourced from PubChem (CID 175672936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).