(3,5-dimethoxy-4-methylphenyl)-(3-methylpiperazin-1-yl)methanone

C15H22N2O3 — CID 119580704

IUPAC(3,5-dimethoxy-4-methylphenyl)-(3-methylpiperazin-1-yl)methanone
SMILESCOc1cc(C(=O)N2CCNC(C)C2)cc(OC)c1C
InChIInChI=1S/C15H22N2O3/c1-10-9-17(6-5-16-10)15(18)12-7-13(19-3)11(2)14(8-12)20-4/h7-8,10,16H,5-6,9H2,1-4H3
InChIKeyLTKRLIYDFIENJC-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.45
Rot. Bonds3

About (3,5-dimethoxy-4-methylphenyl)-(3-methylpiperazin-1-yl)methanone

(3,5-dimethoxy-4-methylphenyl)-(3-methylpiperazin-1-yl)methanone (PubChem CID 119580704) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (3,5-dimethoxy-4-methylphenyl)-(3-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethoxy-4-methylphenyl)-(3-methylpiperazin-1-yl)methanone
PubChem CID119580704
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(3,5-dimethoxy-4-methylphenyl)-(3-methylpiperazin-1-yl)methanone
SMILESCOc1cc(C(=O)N2CCNC(C)C2)cc(OC)c1C
InChIInChI=1S/C15H22N2O3/c1-10-9-17(6-5-16-10)15(18)12-7-13(19-3)11(2)14(8-12)20-4/h7-8,10,16H,5-6,9H2,1-4H3
InChIKeyLTKRLIYDFIENJC-UHFFFAOYSA-N
XLogP1.45
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81428147
(3,5-dimethoxy-4-methylphenyl)-(3,5-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 119564733
(3,5-dimethoxy-4-methylphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119403756
(3,5-dimethylphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119578061
(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119580584
(3-fluoro-4-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone
CID 65418976
(2-methoxy-5-methylphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81426724
(2,6-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81428792
(4-methoxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427852
(3,5-difluorophenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119576197
(4-methoxy-3-nitrophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427141
2-[2-methoxy-4-[(3R)-3-methylpiperazine-1-carbonyl]phenoxy]-N-methylacetamide
CID 125119722

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxy-4-methylphenyl)-(3-methylpiperazin-1-yl)methanone?
The IUPAC name of (3,5-dimethoxy-4-methylphenyl)-(3-methylpiperazin-1-yl)methanone (CID 119580704) is (3,5-dimethoxy-4-methylphenyl)-(3-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (3,5-dimethoxy-4-methylphenyl)-(3-methylpiperazin-1-yl)methanone?
The canonical SMILES for (3,5-dimethoxy-4-methylphenyl)-(3-methylpiperazin-1-yl)methanone is COc1cc(C(=O)N2CCNC(C)C2)cc(OC)c1C.
What is the InChIKey of (3,5-dimethoxy-4-methylphenyl)-(3-methylpiperazin-1-yl)methanone?
The InChIKey is LTKRLIYDFIENJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10-9-17(6-5-16-10)15(18)12-7-13(19-3)11(2)14(8-12)20-4/h7-8,10,16H,5-6,9H2,1-4H3.
What are the key properties of (3,5-dimethoxy-4-methylphenyl)-(3-methylpiperazin-1-yl)methanone?
(3,5-dimethoxy-4-methylphenyl)-(3-methylpiperazin-1-yl)methanone has a molecular weight of 278.35 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxy-4-methylphenyl)-(3-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 119580704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).