1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(oxan-4-yl)urea

C18H28N4O2 — CID 71940469

IUPAC1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(oxan-4-yl)urea
SMILESCCN1CCN(c2ccccc2NC(=O)NC2CCOCC2)CC1
InChIInChI=1S/C18H28N4O2/c1-2-21-9-11-22(12-10-21)17-6-4-3-5-16(17)20-18(23)19-15-7-13-24-14-8-15/h3-6,15H,2,7-14H2,1H3,(H2,19,20,23)
InChIKeyWEEBOMIFQYTIOB-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.13
Rot. Bonds4

About 1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(oxan-4-yl)urea

1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(oxan-4-yl)urea (PubChem CID 71940469) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(oxan-4-yl)urea.

Molecular Properties

Compound Name1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(oxan-4-yl)urea
PubChem CID71940469
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(oxan-4-yl)urea
SMILESCCN1CCN(c2ccccc2NC(=O)NC2CCOCC2)CC1
InChIInChI=1S/C18H28N4O2/c1-2-21-9-11-22(12-10-21)17-6-4-3-5-16(17)20-18(23)19-15-7-13-24-14-8-15/h3-6,15H,2,7-14H2,1H3,(H2,19,20,23)
InChIKeyWEEBOMIFQYTIOB-UHFFFAOYSA-N
XLogP2.13
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]butanamide;trihydrochloride
CID 119901051
benzyl 4-[(2-morpholin-4-ylphenyl)carbamoylamino]piperidine-1-carboxylate
CID 2813234
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(methylamino)acetamide
CID 119901038
1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(furan-2-ylmethyl)urea
CID 52541821
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(2-methylphenyl)acetamide
CID 17482833
1-(2-morpholin-4-ylphenyl)-3-propylurea
CID 110755134
methyl 2-[(1-ethylpiperidin-4-yl)carbamoylamino]benzoate
CID 6465197
1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-[(3S)-1-hydroxypentan-3-yl]urea
CID 95635525
1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-[(3R)-1-hydroxypentan-3-yl]urea
CID 95635526
1-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(2-piperidin-1-ylphenyl)urea
CID 55816831
1-(2-morpholin-4-ylphenyl)-3-pentan-3-ylurea
CID 108888338
1-[(1S,3S)-3-ethoxyspiro[3.5]nonan-1-yl]-3-[2-(4-ethylpiperazin-1-yl)phenyl]urea
CID 96520588

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(oxan-4-yl)urea?
The IUPAC name of 1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(oxan-4-yl)urea (CID 71940469) is 1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(oxan-4-yl)urea.
What is the SMILES notation for 1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(oxan-4-yl)urea?
The canonical SMILES for 1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(oxan-4-yl)urea is CCN1CCN(c2ccccc2NC(=O)NC2CCOCC2)CC1.
What is the InChIKey of 1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(oxan-4-yl)urea?
The InChIKey is WEEBOMIFQYTIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-2-21-9-11-22(12-10-21)17-6-4-3-5-16(17)20-18(23)19-15-7-13-24-14-8-15/h3-6,15H,2,7-14H2,1H3,(H2,19,20,23).
What are the key properties of 1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(oxan-4-yl)urea?
1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(oxan-4-yl)urea has a molecular weight of 332.45 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(oxan-4-yl)urea is sourced from PubChem (CID 71940469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).