(2-methoxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone

C15H22N2O2 — CID 110662304

IUPAC(2-methoxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
SMILESCOc1ccccc1C(=O)N1CC(C)N(C)C(C)C1
InChIInChI=1S/C15H22N2O2/c1-11-9-17(10-12(2)16(11)3)15(18)13-7-5-6-8-14(13)19-4/h5-8,11-12H,9-10H2,1-4H3
InChIKeyDCPZXWYFDBFSDR-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.86
Rot. Bonds2

About (2-methoxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone

(2-methoxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone (PubChem CID 110662304) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2-methoxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
PubChem CID110662304
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(2-methoxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
SMILESCOc1ccccc1C(=O)N1CC(C)N(C)C(C)C1
InChIInChI=1S/C15H22N2O2/c1-11-9-17(10-12(2)16(11)3)15(18)13-7-5-6-8-14(13)19-4/h5-8,11-12H,9-10H2,1-4H3
InChIKeyDCPZXWYFDBFSDR-UHFFFAOYSA-N
XLogP1.86
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methoxyphenyl)-(3-methyl-4-phenylpyrrolidin-1-yl)methanone
CID 110868744
(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 5149560
(3-ethoxyazetidin-1-yl)-(2-methoxyphenyl)methanone
CID 123539708
(2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone
CID 50999804
(3-cyclohexylsulfonylazetidin-1-yl)-(2-methoxyphenyl)methanone
CID 71809296
2,2-dichloro-1-[4-(2-methoxybenzoyl)piperazin-1-yl]ethanone
CID 108567688
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 10560934
(3,4-dimethoxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 110662312
N-[(3R,4R)-4-hydroxy-1-(2-methoxybenzoyl)pyrrolidin-3-yl]acetamide
CID 110132924
(2-methoxyphenyl)-(2-propan-2-ylaziridin-1-yl)methanone
CID 139985368
[2-[(3S)-3-amino-3-phenylpropyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-methoxyphenyl)methanone
CID 69148060
(2,5-dimethylmorpholin-4-yl)-(2-methoxyphenyl)methanone
CID 110727631

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone?
The IUPAC name of (2-methoxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone (CID 110662304) is (2-methoxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-methoxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone?
The canonical SMILES for (2-methoxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone is COc1ccccc1C(=O)N1CC(C)N(C)C(C)C1.
What is the InChIKey of (2-methoxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone?
The InChIKey is DCPZXWYFDBFSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-9-17(10-12(2)16(11)3)15(18)13-7-5-6-8-14(13)19-4/h5-8,11-12H,9-10H2,1-4H3.
What are the key properties of (2-methoxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone?
(2-methoxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone has a molecular weight of 262.35 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 110662304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).