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

C16H26N4O2 — CID 128993031

IUPAC1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-(oxan-2-yl)propan-1-one
SMILESCN1CCN(C(=O)CCC2CCCCO2)CC1c1ncc[nH]1
InChIInChI=1S/C16H26N4O2/c1-19-9-10-20(12-14(19)16-17-7-8-18-16)15(21)6-5-13-4-2-3-11-22-13/h7-8,13-14H,2-6,9-12H2,1H3,(H,17,18)
InChIKeyFAJZWRRGYSWWAM-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.57
Rot. Bonds4

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

1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-(oxan-2-yl)propan-1-one (PubChem CID 128993031) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-(oxan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-(oxan-2-yl)propan-1-one
PubChem CID128993031
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-(oxan-2-yl)propan-1-one
SMILESCN1CCN(C(=O)CCC2CCCCO2)CC1c1ncc[nH]1
InChIInChI=1S/C16H26N4O2/c1-19-9-10-20(12-14(19)16-17-7-8-18-16)15(21)6-5-13-4-2-3-11-22-13/h7-8,13-14H,2-6,9-12H2,1H3,(H,17,18)
InChIKeyFAJZWRRGYSWWAM-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-[(3R)-oxan-3-yl]propan-1-one
CID 129340791
1-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-[(2S)-oxan-2-yl]propan-1-one
CID 129334404
[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-[(2R)-oxan-2-yl]methanone
CID 129335412
1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-methoxypropan-1-one
CID 129000377
(2R)-2-(1H-imidazol-2-yl)-1-methyl-4-[[(2S)-oxan-2-yl]methylsulfonyl]piperazine
CID 129328989
1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-4-pyrrol-1-ylbutan-1-one
CID 129337757
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]-[(3R)-oxan-3-yl]methanone
CID 129330364
2-(1-hydroxycyclohexyl)-1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]ethanone
CID 129337493
2-[(1R)-cyclopent-2-en-1-yl]-1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]ethanone
CID 129331096
(5-ethyl-3-methylfuran-2-yl)-[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone
CID 129335318
1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-3-methoxypropan-1-one
CID 129334597

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-(oxan-2-yl)propan-1-one?
The IUPAC name of 1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-(oxan-2-yl)propan-1-one (CID 128993031) is 1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-(oxan-2-yl)propan-1-one.
What is the SMILES notation for 1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-(oxan-2-yl)propan-1-one?
The canonical SMILES for 1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-(oxan-2-yl)propan-1-one is CN1CCN(C(=O)CCC2CCCCO2)CC1c1ncc[nH]1.
What is the InChIKey of 1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-(oxan-2-yl)propan-1-one?
The InChIKey is FAJZWRRGYSWWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-19-9-10-20(12-14(19)16-17-7-8-18-16)15(21)6-5-13-4-2-3-11-22-13/h7-8,13-14H,2-6,9-12H2,1H3,(H,17,18).
What are the key properties of 1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-(oxan-2-yl)propan-1-one?
1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-(oxan-2-yl)propan-1-one has a molecular weight of 306.41 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-(oxan-2-yl)propan-1-one is sourced from PubChem (CID 128993031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).