(3,5-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methanone

C14H20N2O2 — CID 63874051

IUPAC(3,5-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CC(C)NC(C)C2)c1
InChIInChI=1S/C14H20N2O2/c1-10-8-16(9-11(2)15-10)14(17)12-5-4-6-13(7-12)18-3/h4-7,10-11,15H,8-9H2,1-3H3
InChIKeySIYSBIWMHYPMDC-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.52
Rot. Bonds2

About (3,5-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methanone

(3,5-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methanone (PubChem CID 63874051) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (3,5-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methanone
PubChem CID63874051
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(3,5-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CC(C)NC(C)C2)c1
InChIInChI=1S/C14H20N2O2/c1-10-8-16(9-11(2)15-10)14(17)12-5-4-6-13(7-12)18-3/h4-7,10-11,15H,8-9H2,1-3H3
InChIKeySIYSBIWMHYPMDC-UHFFFAOYSA-N
XLogP1.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S,5S)-3,5-dimethylpiperazin-1-yl]-[3-(2-methoxyethoxy)phenyl]methanone
CID 124589051
(3-hydroxyazetidin-1-yl)-(3-methoxyphenyl)methanone
CID 63107497
2-[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenoxy]acetamide
CID 124589501
[(3aR,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-methoxyphenyl)methanone
CID 95043086
(3S,4S)-1-(3-methoxybenzoyl)-4-methylpyrrolidine-3-carboxamide
CID 122132864
(3-methoxyphenyl)-(5-methyl-1,4-diazepan-1-yl)methanone
CID 82244663
3-(3,5-dimethylpiperazine-1-carbonyl)benzamide;hydrochloride
CID 119564571
(3,5-dimethylpiperazin-1-yl)-phenylmethanone
CID 10560788
(3-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 51710348
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
1-[4-[1-(3-methoxybenzoyl)azetidin-3-yl]piperazin-1-yl]ethanone
CID 84579499
3-[1-(3-methoxybenzoyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 121017220

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methanone?
The IUPAC name of (3,5-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methanone (CID 63874051) is (3,5-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methanone.
What is the SMILES notation for (3,5-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methanone?
The canonical SMILES for (3,5-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2CC(C)NC(C)C2)c1.
What is the InChIKey of (3,5-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methanone?
The InChIKey is SIYSBIWMHYPMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-8-16(9-11(2)15-10)14(17)12-5-4-6-13(7-12)18-3/h4-7,10-11,15H,8-9H2,1-3H3.
What are the key properties of (3,5-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methanone?
(3,5-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methanone has a molecular weight of 248.33 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methanone is sourced from PubChem (CID 63874051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).