1-(4-methylpiperazin-1-yl)-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]ethanone

C14H25N5O — CID 106719508

IUPAC1-(4-methylpiperazin-1-yl)-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]ethanone
SMILESCC(C)NCc1cn(CC(=O)N2CCN(C)CC2)cn1
InChIInChI=1S/C14H25N5O/c1-12(2)15-8-13-9-18(11-16-13)10-14(20)19-6-4-17(3)5-7-19/h9,11-12,15H,4-8,10H2,1-3H3
InChIKeyLVNPSHZKRLUSHE-UHFFFAOYSA-N
MW279.39 g/mol
LogP0.16
Rot. Bonds5

About 1-(4-methylpiperazin-1-yl)-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]ethanone

1-(4-methylpiperazin-1-yl)-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]ethanone (PubChem CID 106719508) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]ethanone
PubChem CID106719508
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name1-(4-methylpiperazin-1-yl)-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]ethanone
SMILESCC(C)NCc1cn(CC(=O)N2CCN(C)CC2)cn1
InChIInChI=1S/C14H25N5O/c1-12(2)15-8-13-9-18(11-16-13)10-14(20)19-6-4-17(3)5-7-19/h9,11-12,15H,4-8,10H2,1-3H3
InChIKeyLVNPSHZKRLUSHE-UHFFFAOYSA-N
XLogP0.16
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]ethanone?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]ethanone (CID 106719508) is 1-(4-methylpiperazin-1-yl)-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]ethanone.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]ethanone?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]ethanone is CC(C)NCc1cn(CC(=O)N2CCN(C)CC2)cn1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]ethanone?
The InChIKey is LVNPSHZKRLUSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-12(2)15-8-13-9-18(11-16-13)10-14(20)19-6-4-17(3)5-7-19/h9,11-12,15H,4-8,10H2,1-3H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]ethanone?
1-(4-methylpiperazin-1-yl)-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]ethanone has a molecular weight of 279.39 g/mol, XLogP of 0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]ethanone is sourced from PubChem (CID 106719508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).