1-(4-methylpiperazin-1-yl)-3-(3-propan-2-yl-1H-inden-5-yl)urea

C18H26N4O — CID 68882316

IUPAC1-(4-methylpiperazin-1-yl)-3-(3-propan-2-yl-1H-inden-5-yl)urea
SMILESCC(C)C1=CCc2ccc(NC(=O)NN3CCN(C)CC3)cc21
InChIInChI=1S/C18H26N4O/c1-13(2)16-7-5-14-4-6-15(12-17(14)16)19-18(23)20-22-10-8-21(3)9-11-22/h4,6-7,12-13H,5,8-11H2,1-3H3,(H2,19,20,23)
InChIKeyILDKGDIMERCPGU-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.57
Rot. Bonds3

About 1-(4-methylpiperazin-1-yl)-3-(3-propan-2-yl-1H-inden-5-yl)urea

1-(4-methylpiperazin-1-yl)-3-(3-propan-2-yl-1H-inden-5-yl)urea (PubChem CID 68882316) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-3-(3-propan-2-yl-1H-inden-5-yl)urea.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-3-(3-propan-2-yl-1H-inden-5-yl)urea
PubChem CID68882316
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name1-(4-methylpiperazin-1-yl)-3-(3-propan-2-yl-1H-inden-5-yl)urea
SMILESCC(C)C1=CCc2ccc(NC(=O)NN3CCN(C)CC3)cc21
InChIInChI=1S/C18H26N4O/c1-13(2)16-7-5-14-4-6-15(12-17(14)16)19-18(23)20-22-10-8-21(3)9-11-22/h4,6-7,12-13H,5,8-11H2,1-3H3,(H2,19,20,23)
InChIKeyILDKGDIMERCPGU-UHFFFAOYSA-N
XLogP2.57
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-3-(3-propan-2-yl-1H-inden-5-yl)urea?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-3-(3-propan-2-yl-1H-inden-5-yl)urea (CID 68882316) is 1-(4-methylpiperazin-1-yl)-3-(3-propan-2-yl-1H-inden-5-yl)urea.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-3-(3-propan-2-yl-1H-inden-5-yl)urea?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-3-(3-propan-2-yl-1H-inden-5-yl)urea is CC(C)C1=CCc2ccc(NC(=O)NN3CCN(C)CC3)cc21.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-3-(3-propan-2-yl-1H-inden-5-yl)urea?
The InChIKey is ILDKGDIMERCPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-13(2)16-7-5-14-4-6-15(12-17(14)16)19-18(23)20-22-10-8-21(3)9-11-22/h4,6-7,12-13H,5,8-11H2,1-3H3,(H2,19,20,23).
What are the key properties of 1-(4-methylpiperazin-1-yl)-3-(3-propan-2-yl-1H-inden-5-yl)urea?
1-(4-methylpiperazin-1-yl)-3-(3-propan-2-yl-1H-inden-5-yl)urea has a molecular weight of 314.43 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-3-(3-propan-2-yl-1H-inden-5-yl)urea is sourced from PubChem (CID 68882316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).