1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(1-imidazol-1-ylpropan-2-yl)urea

C15H26N6O2 — CID 71893158

IUPAC1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(1-imidazol-1-ylpropan-2-yl)urea
SMILESCC(=O)N1CCN(CCNC(=O)NC(C)Cn2ccnc2)CC1
InChIInChI=1S/C15H26N6O2/c1-13(11-20-5-3-16-12-20)18-15(23)17-4-6-19-7-9-21(10-8-19)14(2)22/h3,5,12-13H,4,6-11H2,1-2H3,(H2,17,18,23)
InChIKeyFLVBMUADAVUWEX-UHFFFAOYSA-N
MW322.41 g/mol
LogP-0.27
Rot. Bonds6

About 1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(1-imidazol-1-ylpropan-2-yl)urea

1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(1-imidazol-1-ylpropan-2-yl)urea (PubChem CID 71893158) has the molecular formula C15H26N6O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(1-imidazol-1-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(1-imidazol-1-ylpropan-2-yl)urea
PubChem CID71893158
Molecular FormulaC15H26N6O2
Molecular Weight322.41 g/mol
Exact Mass322.21
IUPAC Name1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(1-imidazol-1-ylpropan-2-yl)urea
SMILESCC(=O)N1CCN(CCNC(=O)NC(C)Cn2ccnc2)CC1
InChIInChI=1S/C15H26N6O2/c1-13(11-20-5-3-16-12-20)18-15(23)17-4-6-19-7-9-21(10-8-19)14(2)22/h3,5,12-13H,4,6-11H2,1-2H3,(H2,17,18,23)
InChIKeyFLVBMUADAVUWEX-UHFFFAOYSA-N
XLogP-0.27
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(1-imidazol-1-ylpropan-2-yl)urea?
The IUPAC name of 1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(1-imidazol-1-ylpropan-2-yl)urea (CID 71893158) is 1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(1-imidazol-1-ylpropan-2-yl)urea.
What is the SMILES notation for 1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(1-imidazol-1-ylpropan-2-yl)urea?
The canonical SMILES for 1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(1-imidazol-1-ylpropan-2-yl)urea is CC(=O)N1CCN(CCNC(=O)NC(C)Cn2ccnc2)CC1.
What is the InChIKey of 1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(1-imidazol-1-ylpropan-2-yl)urea?
The InChIKey is FLVBMUADAVUWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O2/c1-13(11-20-5-3-16-12-20)18-15(23)17-4-6-19-7-9-21(10-8-19)14(2)22/h3,5,12-13H,4,6-11H2,1-2H3,(H2,17,18,23).
What are the key properties of 1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(1-imidazol-1-ylpropan-2-yl)urea?
1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(1-imidazol-1-ylpropan-2-yl)urea has a molecular weight of 322.41 g/mol, XLogP of -0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(1-imidazol-1-ylpropan-2-yl)urea is sourced from PubChem (CID 71893158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).