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

C16H26N4O2 — CID 129340791

IUPAC1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-[(3R)-oxan-3-yl]propan-1-one
SMILESCN1CCN(C(=O)CC[C@H]2CCCOC2)C[C@@H]1c1ncc[nH]1
InChIInChI=1S/C16H26N4O2/c1-19-8-9-20(11-14(19)16-17-6-7-18-16)15(21)5-4-13-3-2-10-22-12-13/h6-7,13-14H,2-5,8-12H2,1H3,(H,17,18)/t13-,14-/m1/s1
InChIKeyXVHSDIOJJMPZAQ-ZIAGYGMSSA-N
MW306.41 g/mol
LogP1.43
Rot. Bonds4

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

1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-[(3R)-oxan-3-yl]propan-1-one (PubChem CID 129340791) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-[(3R)-oxan-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-[(3R)-oxan-3-yl]propan-1-one
PubChem CID129340791
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-[(3R)-oxan-3-yl]propan-1-one
SMILESCN1CCN(C(=O)CC[C@H]2CCCOC2)C[C@@H]1c1ncc[nH]1
InChIInChI=1S/C16H26N4O2/c1-19-8-9-20(11-14(19)16-17-6-7-18-16)15(21)5-4-13-3-2-10-22-12-13/h6-7,13-14H,2-5,8-12H2,1H3,(H,17,18)/t13-,14-/m1/s1
InChIKeyXVHSDIOJJMPZAQ-ZIAGYGMSSA-N
XLogP1.43
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-(oxan-2-yl)propan-1-one
CID 128993031
[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-[(3R)-oxan-3-yl]methanone
CID 129330364
1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-methoxypropan-1-one
CID 129000377
1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-4-pyrrol-1-ylbutan-1-one
CID 129337757
2-(1-hydroxycyclohexyl)-1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]ethanone
CID 129337493
1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-4-pyrrol-1-ylbutan-1-one
CID 128965047
[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-[(2R)-oxan-2-yl]methanone
CID 129335412
1-[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-[(3S)-oxan-3-yl]propan-1-one
CID 129330947
2-[(1R)-cyclopent-2-en-1-yl]-1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]ethanone
CID 129331096
[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-[(2S,3R)-2-methyloxolan-3-yl]methanone
CID 129332032
1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-3-methoxypropan-1-one
CID 129334597
[(1R,2S)-2-cyclopropylcyclopropyl]-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone
CID 129330670

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-[(3R)-oxan-3-yl]propan-1-one?
The IUPAC name of 1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-[(3R)-oxan-3-yl]propan-1-one (CID 129340791) is 1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-[(3R)-oxan-3-yl]propan-1-one.
What is the SMILES notation for 1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-[(3R)-oxan-3-yl]propan-1-one?
The canonical SMILES for 1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-[(3R)-oxan-3-yl]propan-1-one is CN1CCN(C(=O)CC[C@H]2CCCOC2)C[C@@H]1c1ncc[nH]1.
What is the InChIKey of 1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-[(3R)-oxan-3-yl]propan-1-one?
The InChIKey is XVHSDIOJJMPZAQ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-19-8-9-20(11-14(19)16-17-6-7-18-16)15(21)5-4-13-3-2-10-22-12-13/h6-7,13-14H,2-5,8-12H2,1H3,(H,17,18)/t13-,14-/m1/s1.
What are the key properties of 1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-[(3R)-oxan-3-yl]propan-1-one?
1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-[(3R)-oxan-3-yl]propan-1-one has a molecular weight of 306.41 g/mol, XLogP of 1.43, 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-[(3R)-oxan-3-yl]propan-1-one is sourced from PubChem (CID 129340791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).