[2-(4-cyclobutylpiperazin-1-yl)imidazolidin-1-yl]-(4-methoxyphenyl)methanone

C19H28N4O2 — CID 145118312

IUPAC[2-(4-cyclobutylpiperazin-1-yl)imidazolidin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCNC2N2CCN(C3CCC3)CC2)cc1
InChIInChI=1S/C19H28N4O2/c1-25-17-7-5-15(6-8-17)18(24)23-10-9-20-19(23)22-13-11-21(12-14-22)16-3-2-4-16/h5-8,16,19-20H,2-4,9-14H2,1H3
InChIKeyDZTARFIIIKIGRA-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.19
Rot. Bonds4

About [2-(4-cyclobutylpiperazin-1-yl)imidazolidin-1-yl]-(4-methoxyphenyl)methanone

[2-(4-cyclobutylpiperazin-1-yl)imidazolidin-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 145118312) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is [2-(4-cyclobutylpiperazin-1-yl)imidazolidin-1-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(4-cyclobutylpiperazin-1-yl)imidazolidin-1-yl]-(4-methoxyphenyl)methanone
PubChem CID145118312
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name[2-(4-cyclobutylpiperazin-1-yl)imidazolidin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCNC2N2CCN(C3CCC3)CC2)cc1
InChIInChI=1S/C19H28N4O2/c1-25-17-7-5-15(6-8-17)18(24)23-10-9-20-19(23)22-13-11-21(12-14-22)16-3-2-4-16/h5-8,16,19-20H,2-4,9-14H2,1H3
InChIKeyDZTARFIIIKIGRA-UHFFFAOYSA-N
XLogP1.19
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-cyclobutylpiperazin-1-yl)imidazolidin-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [2-(4-cyclobutylpiperazin-1-yl)imidazolidin-1-yl]-(4-methoxyphenyl)methanone (CID 145118312) is [2-(4-cyclobutylpiperazin-1-yl)imidazolidin-1-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [2-(4-cyclobutylpiperazin-1-yl)imidazolidin-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [2-(4-cyclobutylpiperazin-1-yl)imidazolidin-1-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCNC2N2CCN(C3CCC3)CC2)cc1.
What is the InChIKey of [2-(4-cyclobutylpiperazin-1-yl)imidazolidin-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is DZTARFIIIKIGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-25-17-7-5-15(6-8-17)18(24)23-10-9-20-19(23)22-13-11-21(12-14-22)16-3-2-4-16/h5-8,16,19-20H,2-4,9-14H2,1H3.
What are the key properties of [2-(4-cyclobutylpiperazin-1-yl)imidazolidin-1-yl]-(4-methoxyphenyl)methanone?
[2-(4-cyclobutylpiperazin-1-yl)imidazolidin-1-yl]-(4-methoxyphenyl)methanone has a molecular weight of 344.46 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-cyclobutylpiperazin-1-yl)imidazolidin-1-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 145118312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).