(2,4-dimethoxy-3-methylphenyl)-(4-ethylpiperazin-1-yl)methanone

C16H24N2O3 — CID 110763337

IUPAC(2,4-dimethoxy-3-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2ccc(OC)c(C)c2OC)CC1
InChIInChI=1S/C16H24N2O3/c1-5-17-8-10-18(11-9-17)16(19)13-6-7-14(20-3)12(2)15(13)21-4/h6-7H,5,8-11H2,1-4H3
InChIKeySAGAXRQPQVPDTK-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.79
Rot. Bonds4

About (2,4-dimethoxy-3-methylphenyl)-(4-ethylpiperazin-1-yl)methanone

(2,4-dimethoxy-3-methylphenyl)-(4-ethylpiperazin-1-yl)methanone (PubChem CID 110763337) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is (2,4-dimethoxy-3-methylphenyl)-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,4-dimethoxy-3-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
PubChem CID110763337
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name(2,4-dimethoxy-3-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2ccc(OC)c(C)c2OC)CC1
InChIInChI=1S/C16H24N2O3/c1-5-17-8-10-18(11-9-17)16(19)13-6-7-14(20-3)12(2)15(13)21-4/h6-7H,5,8-11H2,1-4H3
InChIKeySAGAXRQPQVPDTK-UHFFFAOYSA-N
XLogP1.79
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(2,4-dimethoxy-3-methylbenzoyl)piperidine-4-carboxylate
CID 110763374
cyclopropyl-[4-(2,4-dimethoxy-3-methylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110806504
[4-(2,4-dimethoxy-3-methylbenzoyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 110815445
(2,4-dimethoxy-3-methylphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
CID 110814077
(4-ethylpiperazin-1-yl)-(2,4,5-trimethoxyphenyl)methanone
CID 25236189
azepan-1-yl-(4-methoxy-2,3-dimethylphenyl)methanone
CID 110763192
N-[3-(4-ethylpiperazine-1-carbonyl)-4-methoxyphenyl]acetamide
CID 110764459
4-(4-methoxy-2,3-dimethylbenzoyl)-N-propyl-1,4-diazepane-1-carboxamide
CID 110813604
ethyl 1-(2,4-dimethoxy-3-methylbenzoyl)piperidine-3-carboxylate
CID 110763375
(3-bromo-2-methoxy-5-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 50882656
[4-(4-methoxy-2,3-dimethylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 110803082
N-(4-methylphenyl)-2-[4-(2,3,4-trimethoxybenzoyl)piperazin-1-yl]acetamide
CID 27854744

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxy-3-methylphenyl)-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of (2,4-dimethoxy-3-methylphenyl)-(4-ethylpiperazin-1-yl)methanone (CID 110763337) is (2,4-dimethoxy-3-methylphenyl)-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,4-dimethoxy-3-methylphenyl)-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for (2,4-dimethoxy-3-methylphenyl)-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2ccc(OC)c(C)c2OC)CC1.
What is the InChIKey of (2,4-dimethoxy-3-methylphenyl)-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is SAGAXRQPQVPDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-17-8-10-18(11-9-17)16(19)13-6-7-14(20-3)12(2)15(13)21-4/h6-7H,5,8-11H2,1-4H3.
What are the key properties of (2,4-dimethoxy-3-methylphenyl)-(4-ethylpiperazin-1-yl)methanone?
(2,4-dimethoxy-3-methylphenyl)-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 292.38 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxy-3-methylphenyl)-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 110763337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).