1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-methoxypropan-1-one

C12H20N4O2 — CID 129338086

IUPAC1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCN(C)[C@@H](c2ncc[nH]2)C1
InChIInChI=1S/C12H20N4O2/c1-15-6-7-16(11(17)3-8-18-2)9-10(15)12-13-4-5-14-12/h4-5,10H,3,6-9H2,1-2H3,(H,13,14)/t10-/m1/s1
InChIKeyTYTKSJAXQNBCFI-SNVBAGLBSA-N
MW252.32 g/mol
LogP0.26
Rot. Bonds4

About 1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-methoxypropan-1-one

1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-methoxypropan-1-one (PubChem CID 129338086) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-methoxypropan-1-one
PubChem CID129338086
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCN(C)[C@@H](c2ncc[nH]2)C1
InChIInChI=1S/C12H20N4O2/c1-15-6-7-16(11(17)3-8-18-2)9-10(15)12-13-4-5-14-12/h4-5,10H,3,6-9H2,1-2H3,(H,13,14)/t10-/m1/s1
InChIKeyTYTKSJAXQNBCFI-SNVBAGLBSA-N
XLogP0.26
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-methoxypropan-1-one?
The IUPAC name of 1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-methoxypropan-1-one (CID 129338086) is 1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-methoxypropan-1-one.
What is the SMILES notation for 1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-methoxypropan-1-one?
The canonical SMILES for 1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-methoxypropan-1-one is COCCC(=O)N1CCN(C)[C@@H](c2ncc[nH]2)C1.
What is the InChIKey of 1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-methoxypropan-1-one?
The InChIKey is TYTKSJAXQNBCFI-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-15-6-7-16(11(17)3-8-18-2)9-10(15)12-13-4-5-14-12/h4-5,10H,3,6-9H2,1-2H3,(H,13,14)/t10-/m1/s1.
What are the key properties of 1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-methoxypropan-1-one?
1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-methoxypropan-1-one has a molecular weight of 252.32 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-methoxypropan-1-one is sourced from PubChem (CID 129338086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).