1-[(E)-2-(3-methylphenyl)ethenyl]-3-(4-piperidin-1-ylphenyl)urea

C21H25N3O — CID 108905514

IUPAC1-[(E)-2-(3-methylphenyl)ethenyl]-3-(4-piperidin-1-ylphenyl)urea
SMILESCc1cccc(/C=C/NC(=O)Nc2ccc(N3CCCCC3)cc2)c1
InChIInChI=1S/C21H25N3O/c1-17-6-5-7-18(16-17)12-13-22-21(25)23-19-8-10-20(11-9-19)24-14-3-2-4-15-24/h5-13,16H,2-4,14-15H2,1H3,(H2,22,23,25)/b13-12+
InChIKeyPPHCDPFYYVGDFF-OUKQBFOZSA-N
MW335.45 g/mol
LogP4.78
Rot. Bonds4

About 1-[(E)-2-(3-methylphenyl)ethenyl]-3-(4-piperidin-1-ylphenyl)urea

1-[(E)-2-(3-methylphenyl)ethenyl]-3-(4-piperidin-1-ylphenyl)urea (PubChem CID 108905514) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-[(E)-2-(3-methylphenyl)ethenyl]-3-(4-piperidin-1-ylphenyl)urea.

Molecular Properties

Compound Name1-[(E)-2-(3-methylphenyl)ethenyl]-3-(4-piperidin-1-ylphenyl)urea
PubChem CID108905514
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name1-[(E)-2-(3-methylphenyl)ethenyl]-3-(4-piperidin-1-ylphenyl)urea
SMILESCc1cccc(/C=C/NC(=O)Nc2ccc(N3CCCCC3)cc2)c1
InChIInChI=1S/C21H25N3O/c1-17-6-5-7-18(16-17)12-13-22-21(25)23-19-8-10-20(11-9-19)24-14-3-2-4-15-24/h5-13,16H,2-4,14-15H2,1H3,(H2,22,23,25)/b13-12+
InChIKeyPPHCDPFYYVGDFF-OUKQBFOZSA-N
XLogP4.78
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-2-(3-methylphenyl)ethenyl]azepane-1-carboxamide
CID 108905455
1-[(3-methylphenyl)methyl]-3-(4-pyrrolidin-1-ylphenyl)urea
CID 108988759
1-[4-(diethylamino)phenyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905550
1-[2-(3-methylphenyl)ethyl]-3-(4-piperidin-1-ylphenyl)urea
CID 108900783
N'-(3-methylphenyl)-N-(4-piperidin-1-ylphenyl)propanediamide
CID 108953051
1-[3-(dimethylamino)phenyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905529
1-[(E)-2-(3-methylphenyl)ethenyl]-3-pyrimidin-2-ylurea
CID 108905451
1-(2-hydroxyphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905408
(E)-N-(4-piperidin-1-ylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 7922480
1-(2-bromo-4-methylphenyl)-3-(4-piperidin-1-ylphenyl)urea
CID 108992513
3-(3-methylanilino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 109034292
1-[(E)-2-(3-methylphenyl)ethenyl]-3-prop-2-enylurea
CID 108905502

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(3-methylphenyl)ethenyl]-3-(4-piperidin-1-ylphenyl)urea?
The IUPAC name of 1-[(E)-2-(3-methylphenyl)ethenyl]-3-(4-piperidin-1-ylphenyl)urea (CID 108905514) is 1-[(E)-2-(3-methylphenyl)ethenyl]-3-(4-piperidin-1-ylphenyl)urea.
What is the SMILES notation for 1-[(E)-2-(3-methylphenyl)ethenyl]-3-(4-piperidin-1-ylphenyl)urea?
The canonical SMILES for 1-[(E)-2-(3-methylphenyl)ethenyl]-3-(4-piperidin-1-ylphenyl)urea is Cc1cccc(/C=C/NC(=O)Nc2ccc(N3CCCCC3)cc2)c1.
What is the InChIKey of 1-[(E)-2-(3-methylphenyl)ethenyl]-3-(4-piperidin-1-ylphenyl)urea?
The InChIKey is PPHCDPFYYVGDFF-OUKQBFOZSA-N. The full InChI is InChI=1S/C21H25N3O/c1-17-6-5-7-18(16-17)12-13-22-21(25)23-19-8-10-20(11-9-19)24-14-3-2-4-15-24/h5-13,16H,2-4,14-15H2,1H3,(H2,22,23,25)/b13-12+.
What are the key properties of 1-[(E)-2-(3-methylphenyl)ethenyl]-3-(4-piperidin-1-ylphenyl)urea?
1-[(E)-2-(3-methylphenyl)ethenyl]-3-(4-piperidin-1-ylphenyl)urea has a molecular weight of 335.45 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(3-methylphenyl)ethenyl]-3-(4-piperidin-1-ylphenyl)urea is sourced from PubChem (CID 108905514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).