[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone

C19H28N2O3 — CID 95345802

IUPAC[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone
SMILESCOc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCN(CC(C)(C)O)CC1
InChIInChI=1S/C19H28N2O3/c1-19(2,23)13-20-8-10-21(11-9-20)18(22)16-12-15(16)14-6-4-5-7-17(14)24-3/h4-7,15-16,23H,8-13H2,1-3H3/t15-,16+/m0/s1
InChIKeyHUARQUJJYNKPAN-JKSUJKDBSA-N
MW332.44 g/mol
LogP1.71
Rot. Bonds5

About [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone

[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone (PubChem CID 95345802) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone
PubChem CID95345802
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone
SMILESCOc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCN(CC(C)(C)O)CC1
InChIInChI=1S/C19H28N2O3/c1-19(2,23)13-20-8-10-21(11-9-20)18(22)16-12-15(16)14-6-4-5-7-17(14)24-3/h4-7,15-16,23H,8-13H2,1-3H3/t15-,16+/m0/s1
InChIKeyHUARQUJJYNKPAN-JKSUJKDBSA-N
XLogP1.71
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone with MolForge

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Related Compounds

2-[4-[(1R,2R)-2-(2-methoxyphenyl)cyclopropanecarbonyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 95273527
2-[4-[(1S,2R)-2-(2-methoxyphenyl)cyclopropanecarbonyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 95273528
(4-cyclopentylpiperazin-1-yl)-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]methanone
CID 95284754
[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone
CID 124853798
[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone
CID 124853797
cis-(1S,2R)-N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 95292771
[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 95334362
[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 95334365
[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[3-(triazol-1-yl)azetidin-1-yl]methanone
CID 154755631
[(2R)-2-(4-chlorophenyl)azetidin-1-yl]-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone
CID 97217119
[2-(furan-2-yl)cyclopropyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 56820493
1-[4-[(1S,2S)-2-naphthalen-1-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 97025073

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone?
The IUPAC name of [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone (CID 95345802) is [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone.
What is the SMILES notation for [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone?
The canonical SMILES for [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone is COc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCN(CC(C)(C)O)CC1.
What is the InChIKey of [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone?
The InChIKey is HUARQUJJYNKPAN-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-19(2,23)13-20-8-10-21(11-9-20)18(22)16-12-15(16)14-6-4-5-7-17(14)24-3/h4-7,15-16,23H,8-13H2,1-3H3/t15-,16+/m0/s1.
What are the key properties of [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone?
[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone has a molecular weight of 332.44 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone is sourced from PubChem (CID 95345802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).