1-[2-(4-methylpiperazin-1-yl)phenyl]-3-phenylurea

C18H22N4O — CID 41430695

IUPAC1-[2-(4-methylpiperazin-1-yl)phenyl]-3-phenylurea
SMILESCN1CCN(c2ccccc2NC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C18H22N4O/c1-21-11-13-22(14-12-21)17-10-6-5-9-16(17)20-18(23)19-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H2,19,20,23)
InChIKeyMUDXUIHKXNXLDB-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.08
Rot. Bonds3

About 1-[2-(4-methylpiperazin-1-yl)phenyl]-3-phenylurea

1-[2-(4-methylpiperazin-1-yl)phenyl]-3-phenylurea (PubChem CID 41430695) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-[2-(4-methylpiperazin-1-yl)phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-(4-methylpiperazin-1-yl)phenyl]-3-phenylurea
PubChem CID41430695
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name1-[2-(4-methylpiperazin-1-yl)phenyl]-3-phenylurea
SMILESCN1CCN(c2ccccc2NC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C18H22N4O/c1-21-11-13-22(14-12-21)17-10-6-5-9-16(17)20-18(23)19-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H2,19,20,23)
InChIKeyMUDXUIHKXNXLDB-UHFFFAOYSA-N
XLogP3.08
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-hydroxycyclopentyl)methyl]-3-[2-(4-methylpiperazin-1-yl)phenyl]urea
CID 110907910
1-(1-hydroxy-2-methylbutan-2-yl)-3-[2-(4-methylpiperazin-1-yl)phenyl]urea
CID 111630126
[2-(4-methylpiperazin-1-yl)phenyl]thiourea
CID 4275618
N-[2-(4-methylpiperazin-1-yl)phenyl]-1-phenylcyclopentane-1-carboxamide
CID 9119487
1-(3-hydroxy-4-methylpentyl)-3-[2-(4-methylpiperazin-1-yl)phenyl]urea
CID 111462816
4-(cyclopropanecarbonylamino)-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 55359299
1-cyclohex-2-en-1-yl-3-[2-(4-methylpiperazin-1-yl)phenyl]urea
CID 71920717
1-(2-methylphenyl)-3-(2-piperidin-1-ylphenyl)urea
CID 2814230
1-[2-(hydroxymethyl)cyclohexyl]-3-[2-(4-methylpiperazin-1-yl)phenyl]urea
CID 111630138
1-(2-cyclopentyl-2-hydroxyethyl)-3-[2-(4-methylpiperazin-1-yl)phenyl]urea
CID 111425534
2-methoxy-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 935026
N-[2-(4-methylpiperazin-1-yl)phenyl]-2-(4-phenoxyphenoxy)acetamide
CID 43039942

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperazin-1-yl)phenyl]-3-phenylurea?
The IUPAC name of 1-[2-(4-methylpiperazin-1-yl)phenyl]-3-phenylurea (CID 41430695) is 1-[2-(4-methylpiperazin-1-yl)phenyl]-3-phenylurea.
What is the SMILES notation for 1-[2-(4-methylpiperazin-1-yl)phenyl]-3-phenylurea?
The canonical SMILES for 1-[2-(4-methylpiperazin-1-yl)phenyl]-3-phenylurea is CN1CCN(c2ccccc2NC(=O)Nc2ccccc2)CC1.
What is the InChIKey of 1-[2-(4-methylpiperazin-1-yl)phenyl]-3-phenylurea?
The InChIKey is MUDXUIHKXNXLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-21-11-13-22(14-12-21)17-10-6-5-9-16(17)20-18(23)19-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H2,19,20,23).
What are the key properties of 1-[2-(4-methylpiperazin-1-yl)phenyl]-3-phenylurea?
1-[2-(4-methylpiperazin-1-yl)phenyl]-3-phenylurea has a molecular weight of 310.40 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpiperazin-1-yl)phenyl]-3-phenylurea is sourced from PubChem (CID 41430695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).