(3,4-dimethoxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone

C16H24N2O3 — CID 110662312

IUPAC(3,4-dimethoxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CC(C)N(C)C(C)C2)cc1OC
InChIInChI=1S/C16H24N2O3/c1-11-9-18(10-12(2)17(11)3)16(19)13-6-7-14(20-4)15(8-13)21-5/h6-8,11-12H,9-10H2,1-5H3
InChIKeyUXRMPUYFQDFSBG-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.87
Rot. Bonds3

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

(3,4-dimethoxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone (PubChem CID 110662312) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
PubChem CID110662312
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name(3,4-dimethoxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CC(C)N(C)C(C)C2)cc1OC
InChIInChI=1S/C16H24N2O3/c1-11-9-18(10-12(2)17(11)3)16(19)13-6-7-14(20-4)15(8-13)21-5/h6-8,11-12H,9-10H2,1-5H3
InChIKeyUXRMPUYFQDFSBG-UHFFFAOYSA-N
XLogP1.87
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dimethoxyphenyl)-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]methanone
CID 110290343
(3,4-dimethoxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749717
(3,4-dimethoxyphenyl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone
CID 90594125
2-[1-(3,4-dimethoxybenzoyl)azetidin-3-yl]acetic acid
CID 64604545
(3,4-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81428147
1-[4-[5-(3,4-dimethylpiperazine-1-carbonyl)-2-methoxyphenoxy]piperidin-1-yl]ethanone
CID 24819154
(2-methoxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 110662304
(3,4-dimethylpyrrolidin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone
CID 79672567
(3,4-dimethoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone
CID 63909017
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(3,4-dimethoxyphenyl)methanone
CID 102938320
(3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 110725273
(3S,4S)-1-[4-(difluoromethoxy)-3-methoxybenzoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120952594

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone (CID 110662312) is (3,4-dimethoxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone is COc1ccc(C(=O)N2CC(C)N(C)C(C)C2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone?
The InChIKey is UXRMPUYFQDFSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11-9-18(10-12(2)17(11)3)16(19)13-6-7-14(20-4)15(8-13)21-5/h6-8,11-12H,9-10H2,1-5H3.
What are the key properties of (3,4-dimethoxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone?
(3,4-dimethoxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone has a molecular weight of 292.38 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 110662312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).