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

C15H23N3O2 — CID 125001743

IUPAC2-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-N,N-dimethylacetamide
SMILESCOc1ccc([C@@H]2CNCCN2CC(=O)N(C)C)cc1
InChIInChI=1S/C15H23N3O2/c1-17(2)15(19)11-18-9-8-16-10-14(18)12-4-6-13(20-3)7-5-12/h4-7,14,16H,8-11H2,1-3H3/t14-/m0/s1
InChIKeySFNDJVRJMRNLOU-AWEZNQCLSA-N
MW277.37 g/mol
LogP0.73
Rot. Bonds4

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

2-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-N,N-dimethylacetamide (PubChem CID 125001743) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-N,N-dimethylacetamide
PubChem CID125001743
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-N,N-dimethylacetamide
SMILESCOc1ccc([C@@H]2CNCCN2CC(=O)N(C)C)cc1
InChIInChI=1S/C15H23N3O2/c1-17(2)15(19)11-18-9-8-16-10-14(18)12-4-6-13(20-3)7-5-12/h4-7,14,16H,8-11H2,1-3H3/t14-/m0/s1
InChIKeySFNDJVRJMRNLOU-AWEZNQCLSA-N
XLogP0.73
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 125007525
1-[4-hydroxy-4-[[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone
CID 124941963
(2R)-1-benzyl-2-(4-methoxyphenyl)piperazine
CID 99906556
1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 124940745
2-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 110109334
2-[[2-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 110109340
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120755033
2-(4-methoxyphenyl)-1-[(4-nitrophenyl)methyl]piperazine
CID 21331832
2-(4-methoxyphenyl)-1-(2-phenylpiperazin-1-yl)ethanone
CID 110109133
1-[4-[(2S)-2-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 125005845
2-[2-(4-ethylphenyl)piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 120758267
3-(2-fluorophenyl)-1-[2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 110109408

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-N,N-dimethylacetamide (CID 125001743) is 2-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-N,N-dimethylacetamide is COc1ccc([C@@H]2CNCCN2CC(=O)N(C)C)cc1.
What is the InChIKey of 2-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-N,N-dimethylacetamide?
The InChIKey is SFNDJVRJMRNLOU-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-17(2)15(19)11-18-9-8-16-10-14(18)12-4-6-13(20-3)7-5-12/h4-7,14,16H,8-11H2,1-3H3/t14-/m0/s1.
What are the key properties of 2-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-N,N-dimethylacetamide?
2-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-N,N-dimethylacetamide has a molecular weight of 277.37 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 125001743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).