2-(1-hydroxycyclohexyl)-1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]ethanone

C16H26N4O2 — CID 129337493

IUPAC2-(1-hydroxycyclohexyl)-1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]ethanone
SMILESCN1CCN(C(=O)CC2(O)CCCCC2)C[C@@H]1c1ncc[nH]1
InChIInChI=1S/C16H26N4O2/c1-19-9-10-20(12-13(19)15-17-7-8-18-15)14(21)11-16(22)5-3-2-4-6-16/h7-8,13,22H,2-6,9-12H2,1H3,(H,17,18)/t13-/m1/s1
InChIKeySKJSYPCCPNGVOA-CYBMUJFWSA-N
MW306.41 g/mol
LogP1.31
Rot. Bonds3

About 2-(1-hydroxycyclohexyl)-1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]ethanone

2-(1-hydroxycyclohexyl)-1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]ethanone (PubChem CID 129337493) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-(1-hydroxycyclohexyl)-1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-hydroxycyclohexyl)-1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]ethanone
PubChem CID129337493
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name2-(1-hydroxycyclohexyl)-1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]ethanone
SMILESCN1CCN(C(=O)CC2(O)CCCCC2)C[C@@H]1c1ncc[nH]1
InChIInChI=1S/C16H26N4O2/c1-19-9-10-20(12-13(19)15-17-7-8-18-15)14(21)11-16(22)5-3-2-4-6-16/h7-8,13,22H,2-6,9-12H2,1H3,(H,17,18)/t13-/m1/s1
InChIKeySKJSYPCCPNGVOA-CYBMUJFWSA-N
XLogP1.31
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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]-3-[(3R)-oxan-3-yl]propan-1-one
CID 129340791
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
2-[(1R)-cyclopent-2-en-1-yl]-1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]ethanone
CID 129331096
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]-[(2R)-oxan-2-yl]methanone
CID 129335412
(2S)-2-hydroxy-1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-phenylethanone
CID 128987740
(2R)-2-hydroxy-1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-methylpentan-1-one
CID 129329291
[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(2-methylphenyl)methanone
CID 129332731
[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-pyridin-2-ylmethanone
CID 129329822
[(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 2-(1-hydroxycyclohexyl)-1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]ethanone?
The IUPAC name of 2-(1-hydroxycyclohexyl)-1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]ethanone (CID 129337493) is 2-(1-hydroxycyclohexyl)-1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]ethanone.
What is the SMILES notation for 2-(1-hydroxycyclohexyl)-1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]ethanone?
The canonical SMILES for 2-(1-hydroxycyclohexyl)-1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]ethanone is CN1CCN(C(=O)CC2(O)CCCCC2)C[C@@H]1c1ncc[nH]1.
What is the InChIKey of 2-(1-hydroxycyclohexyl)-1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]ethanone?
The InChIKey is SKJSYPCCPNGVOA-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-19-9-10-20(12-13(19)15-17-7-8-18-15)14(21)11-16(22)5-3-2-4-6-16/h7-8,13,22H,2-6,9-12H2,1H3,(H,17,18)/t13-/m1/s1.
What are the key properties of 2-(1-hydroxycyclohexyl)-1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]ethanone?
2-(1-hydroxycyclohexyl)-1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]ethanone has a molecular weight of 306.41 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclohexyl)-1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]ethanone is sourced from PubChem (CID 129337493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).