4-[2-[3-(dimethylamino)phenoxy]acetyl]-N,1-dimethylpiperazine-2-carboxamide

C17H26N4O3 — CID 110086228

IUPAC4-[2-[3-(dimethylamino)phenoxy]acetyl]-N,1-dimethylpiperazine-2-carboxamide
SMILESCNC(=O)C1CN(C(=O)COc2cccc(N(C)C)c2)CCN1C
InChIInChI=1S/C17H26N4O3/c1-18-17(23)15-11-21(9-8-20(15)4)16(22)12-24-14-7-5-6-13(10-14)19(2)3/h5-7,10,15H,8-9,11-12H2,1-4H3,(H,18,23)
InChIKeyGNCLZWTUEHONDN-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.02
Rot. Bonds5

About 4-[2-[3-(dimethylamino)phenoxy]acetyl]-N,1-dimethylpiperazine-2-carboxamide

4-[2-[3-(dimethylamino)phenoxy]acetyl]-N,1-dimethylpiperazine-2-carboxamide (PubChem CID 110086228) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-[2-[3-(dimethylamino)phenoxy]acetyl]-N,1-dimethylpiperazine-2-carboxamide.

Molecular Properties

Compound Name4-[2-[3-(dimethylamino)phenoxy]acetyl]-N,1-dimethylpiperazine-2-carboxamide
PubChem CID110086228
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name4-[2-[3-(dimethylamino)phenoxy]acetyl]-N,1-dimethylpiperazine-2-carboxamide
SMILESCNC(=O)C1CN(C(=O)COc2cccc(N(C)C)c2)CCN1C
InChIInChI=1S/C17H26N4O3/c1-18-17(23)15-11-21(9-8-20(15)4)16(22)12-24-14-7-5-6-13(10-14)19(2)3/h5-7,10,15H,8-9,11-12H2,1-4H3,(H,18,23)
InChIKeyGNCLZWTUEHONDN-UHFFFAOYSA-N
XLogP0.02
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(N,3-dimethylanilino)propanoyl]-N,1-dimethylpiperazine-2-carboxamide
CID 110086268
(2S)-N-tert-butyl-1-methyl-4-(2-naphthalen-2-yloxyacetyl)piperazine-2-carboxamide
CID 59986570
(2R)-4-(3-methoxypropanoyl)-N,1-dimethylpiperazine-2-carboxamide
CID 124982197
(2R)-1-acetyl-4-[3-(3-fluorophenoxy)propanoyl]-N-methylpiperazine-2-carboxamide
CID 124943012
(2S)-1-acetyl-4-[3-(dimethylamino)benzoyl]-N-methylpiperazine-2-carboxamide
CID 125026443
2-(3-methoxyphenoxy)-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone
CID 124574816
3-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethoxy]-N-methylbenzamide
CID 146084564
2-(3-chlorophenoxy)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 62535582
2-[3-(dimethylamino)phenoxy]-1-phenylethanone
CID 60773053
2-[3-(hydroxymethyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 28561862
2-[3-(methylaminomethyl)phenoxy]-1-(3-methylpiperidin-1-yl)ethanone
CID 106485942
4-[3-(dimethylamino)phenoxy]-2-(pyrrolidine-1-carbonyl)butanenitrile
CID 82136808

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(dimethylamino)phenoxy]acetyl]-N,1-dimethylpiperazine-2-carboxamide?
The IUPAC name of 4-[2-[3-(dimethylamino)phenoxy]acetyl]-N,1-dimethylpiperazine-2-carboxamide (CID 110086228) is 4-[2-[3-(dimethylamino)phenoxy]acetyl]-N,1-dimethylpiperazine-2-carboxamide.
What is the SMILES notation for 4-[2-[3-(dimethylamino)phenoxy]acetyl]-N,1-dimethylpiperazine-2-carboxamide?
The canonical SMILES for 4-[2-[3-(dimethylamino)phenoxy]acetyl]-N,1-dimethylpiperazine-2-carboxamide is CNC(=O)C1CN(C(=O)COc2cccc(N(C)C)c2)CCN1C.
What is the InChIKey of 4-[2-[3-(dimethylamino)phenoxy]acetyl]-N,1-dimethylpiperazine-2-carboxamide?
The InChIKey is GNCLZWTUEHONDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-18-17(23)15-11-21(9-8-20(15)4)16(22)12-24-14-7-5-6-13(10-14)19(2)3/h5-7,10,15H,8-9,11-12H2,1-4H3,(H,18,23).
What are the key properties of 4-[2-[3-(dimethylamino)phenoxy]acetyl]-N,1-dimethylpiperazine-2-carboxamide?
4-[2-[3-(dimethylamino)phenoxy]acetyl]-N,1-dimethylpiperazine-2-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(dimethylamino)phenoxy]acetyl]-N,1-dimethylpiperazine-2-carboxamide is sourced from PubChem (CID 110086228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).