2-[4-[(1R,2R)-2-(2-methoxyphenyl)cyclopropanecarbonyl]piperazin-1-yl]-N,N-dimethylacetamide

C19H27N3O3 — CID 95273527

IUPAC2-[4-[(1R,2R)-2-(2-methoxyphenyl)cyclopropanecarbonyl]piperazin-1-yl]-N,N-dimethylacetamide
SMILESCOc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCN(CC(=O)N(C)C)CC1
InChIInChI=1S/C19H27N3O3/c1-20(2)18(23)13-21-8-10-22(11-9-21)19(24)16-12-15(16)14-6-4-5-7-17(14)25-3/h4-7,15-16H,8-13H2,1-3H3/t15-,16+/m0/s1
InChIKeyDMHZMRZUFXFNOK-JKSUJKDBSA-N
MW345.44 g/mol
LogP1.03
Rot. Bonds5

About 2-[4-[(1R,2R)-2-(2-methoxyphenyl)cyclopropanecarbonyl]piperazin-1-yl]-N,N-dimethylacetamide

2-[4-[(1R,2R)-2-(2-methoxyphenyl)cyclopropanecarbonyl]piperazin-1-yl]-N,N-dimethylacetamide (PubChem CID 95273527) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 2-[4-[(1R,2R)-2-(2-methoxyphenyl)cyclopropanecarbonyl]piperazin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[(1R,2R)-2-(2-methoxyphenyl)cyclopropanecarbonyl]piperazin-1-yl]-N,N-dimethylacetamide
PubChem CID95273527
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name2-[4-[(1R,2R)-2-(2-methoxyphenyl)cyclopropanecarbonyl]piperazin-1-yl]-N,N-dimethylacetamide
SMILESCOc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCN(CC(=O)N(C)C)CC1
InChIInChI=1S/C19H27N3O3/c1-20(2)18(23)13-21-8-10-22(11-9-21)19(24)16-12-15(16)14-6-4-5-7-17(14)25-3/h4-7,15-16H,8-13H2,1-3H3/t15-,16+/m0/s1
InChIKeyDMHZMRZUFXFNOK-JKSUJKDBSA-N
XLogP1.03
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(1S,2R)-2-(2-methoxyphenyl)cyclopropanecarbonyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 95273528
[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone
CID 95345802
(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
[(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
1-(4-methoxyphenyl)-2-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]ethanone
CID 110611250
2-[4-[2-(2-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-N-phenylacetamide
CID 51333103
[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 100840689
[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 98758129

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1R,2R)-2-(2-methoxyphenyl)cyclopropanecarbonyl]piperazin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[(1R,2R)-2-(2-methoxyphenyl)cyclopropanecarbonyl]piperazin-1-yl]-N,N-dimethylacetamide (CID 95273527) is 2-[4-[(1R,2R)-2-(2-methoxyphenyl)cyclopropanecarbonyl]piperazin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[(1R,2R)-2-(2-methoxyphenyl)cyclopropanecarbonyl]piperazin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[(1R,2R)-2-(2-methoxyphenyl)cyclopropanecarbonyl]piperazin-1-yl]-N,N-dimethylacetamide is COc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCN(CC(=O)N(C)C)CC1.
What is the InChIKey of 2-[4-[(1R,2R)-2-(2-methoxyphenyl)cyclopropanecarbonyl]piperazin-1-yl]-N,N-dimethylacetamide?
The InChIKey is DMHZMRZUFXFNOK-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-20(2)18(23)13-21-8-10-22(11-9-21)19(24)16-12-15(16)14-6-4-5-7-17(14)25-3/h4-7,15-16H,8-13H2,1-3H3/t15-,16+/m0/s1.
What are the key properties of 2-[4-[(1R,2R)-2-(2-methoxyphenyl)cyclopropanecarbonyl]piperazin-1-yl]-N,N-dimethylacetamide?
2-[4-[(1R,2R)-2-(2-methoxyphenyl)cyclopropanecarbonyl]piperazin-1-yl]-N,N-dimethylacetamide has a molecular weight of 345.44 g/mol, XLogP of 1.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1R,2R)-2-(2-methoxyphenyl)cyclopropanecarbonyl]piperazin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 95273527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).