2-[2-methoxy-4-[(3R)-3-methylpiperazine-1-carbonyl]phenoxy]-N-methylacetamide

C16H23N3O4 — CID 125119722

IUPAC2-[2-methoxy-4-[(3R)-3-methylpiperazine-1-carbonyl]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1ccc(C(=O)N2CCN[C@H](C)C2)cc1OC
InChIInChI=1S/C16H23N3O4/c1-11-9-19(7-6-18-11)16(21)12-4-5-13(14(8-12)22-3)23-10-15(20)17-2/h4-5,8,11,18H,6-7,9-10H2,1-3H3,(H,17,20)/t11-/m1/s1
InChIKeyYOTJHOVSVSAOFT-LLVKDONJSA-N
MW321.38 g/mol
LogP0.25
Rot. Bonds5

About 2-[2-methoxy-4-[(3R)-3-methylpiperazine-1-carbonyl]phenoxy]-N-methylacetamide

2-[2-methoxy-4-[(3R)-3-methylpiperazine-1-carbonyl]phenoxy]-N-methylacetamide (PubChem CID 125119722) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-[2-methoxy-4-[(3R)-3-methylpiperazine-1-carbonyl]phenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-methoxy-4-[(3R)-3-methylpiperazine-1-carbonyl]phenoxy]-N-methylacetamide
PubChem CID125119722
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name2-[2-methoxy-4-[(3R)-3-methylpiperazine-1-carbonyl]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1ccc(C(=O)N2CCN[C@H](C)C2)cc1OC
InChIInChI=1S/C16H23N3O4/c1-11-9-19(7-6-18-11)16(21)12-4-5-13(14(8-12)22-3)23-10-15(20)17-2/h4-5,8,11,18H,6-7,9-10H2,1-3H3,(H,17,20)/t11-/m1/s1
InChIKeyYOTJHOVSVSAOFT-LLVKDONJSA-N
XLogP0.25
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3,4-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81428147
2-[2-methoxy-4-[3-(methylamino)piperidine-1-carbonyl]phenoxy]-N-methylacetamide
CID 119488714
[3-methoxy-4-(3-methylbutoxy)phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119579815
(3-fluoro-4-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone
CID 65418976
(3,5-dimethoxy-4-methylphenyl)-(3-methylpiperazin-1-yl)methanone
CID 119580704
2-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2-methoxyphenoxy]-N-methylacetamide
CID 120814212
(4-methoxy-3-nitrophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427141
2-(2-methoxy-4-prop-1-enylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone
CID 126785977
2-[2-methoxy-4-[3-(methylamino)piperidine-1-carbonyl]phenoxy]-N-propan-2-ylacetamide
CID 119492705
(4-methoxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427852
(3,4-dimethoxyphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 55065169
methyl 3-[(3S)-3-methylpiperazine-1-carbonyl]benzoate
CID 176515178

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[(3R)-3-methylpiperazine-1-carbonyl]phenoxy]-N-methylacetamide?
The IUPAC name of 2-[2-methoxy-4-[(3R)-3-methylpiperazine-1-carbonyl]phenoxy]-N-methylacetamide (CID 125119722) is 2-[2-methoxy-4-[(3R)-3-methylpiperazine-1-carbonyl]phenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[2-methoxy-4-[(3R)-3-methylpiperazine-1-carbonyl]phenoxy]-N-methylacetamide?
The canonical SMILES for 2-[2-methoxy-4-[(3R)-3-methylpiperazine-1-carbonyl]phenoxy]-N-methylacetamide is CNC(=O)COc1ccc(C(=O)N2CCN[C@H](C)C2)cc1OC.
What is the InChIKey of 2-[2-methoxy-4-[(3R)-3-methylpiperazine-1-carbonyl]phenoxy]-N-methylacetamide?
The InChIKey is YOTJHOVSVSAOFT-LLVKDONJSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-11-9-19(7-6-18-11)16(21)12-4-5-13(14(8-12)22-3)23-10-15(20)17-2/h4-5,8,11,18H,6-7,9-10H2,1-3H3,(H,17,20)/t11-/m1/s1.
What are the key properties of 2-[2-methoxy-4-[(3R)-3-methylpiperazine-1-carbonyl]phenoxy]-N-methylacetamide?
2-[2-methoxy-4-[(3R)-3-methylpiperazine-1-carbonyl]phenoxy]-N-methylacetamide has a molecular weight of 321.38 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[(3R)-3-methylpiperazine-1-carbonyl]phenoxy]-N-methylacetamide is sourced from PubChem (CID 125119722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).