(2-methoxy-5-methylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone

C20H24N2O3 — CID 38575305

IUPAC(2-methoxy-5-methylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3cc(C)ccc3OC)CC2)c1
InChIInChI=1S/C20H24N2O3/c1-15-7-8-19(25-3)18(13-15)20(23)22-11-9-21(10-12-22)16-5-4-6-17(14-16)24-2/h4-8,13-14H,9-12H2,1-3H3
InChIKeyRWRCJPVSRQMKLP-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.97
Rot. Bonds4

About (2-methoxy-5-methylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone

(2-methoxy-5-methylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 38575305) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is (2-methoxy-5-methylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxy-5-methylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID38575305
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name(2-methoxy-5-methylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3cc(C)ccc3OC)CC2)c1
InChIInChI=1S/C20H24N2O3/c1-15-7-8-19(25-3)18(13-15)20(23)22-11-9-21(10-12-22)16-5-4-6-17(14-16)24-2/h4-8,13-14H,9-12H2,1-3H3
InChIKeyRWRCJPVSRQMKLP-UHFFFAOYSA-N
XLogP2.97
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ND7001
CID 11418136
4-methoxy-N-[4-(4-methyl-1-piperazinyl)phenyl]benzamide
CID 3154679
3,4-dihydro-1(2H)-quinolinyl(4-methoxyphenyl)methanone
CID 710667
1-(4-Ethoxybenzoyl)-4-phenylpiperazine
CID 710515
N-(3-Methoxy-phenyl)-4-(4-phenyl-piperazin-1-ylmethyl)-benzamide
CID 653541
(4-Methoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 722098
2-methoxy-N-[2-(piperidin-1-yl)phenyl]benzamide
CID 756103
[4-(3-Chloro-phenyl)-piperazin-1-yl]-(2-methoxy-phenyl)-methanone
CID 646835
(4-(3-Chlorophenyl)piperazin-1-yl)(2-ethoxyphenyl)methanone
CID 871395
(2-Methoxyphenyl)[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 3335915
1-Methoxy-10-methyl-acridin-9-one
CID 468117
2-{[4-(2-methoxyphenyl)piperazin-1-yl]carbonyl}-6,8-dimethyl-4H-chromen-4-one
CID 4970947

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-5-methylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (2-methoxy-5-methylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (CID 38575305) is (2-methoxy-5-methylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-methoxy-5-methylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-methoxy-5-methylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone is COc1cccc(N2CCN(C(=O)c3cc(C)ccc3OC)CC2)c1.
What is the InChIKey of (2-methoxy-5-methylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is RWRCJPVSRQMKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-15-7-8-19(25-3)18(13-15)20(23)22-11-9-21(10-12-22)16-5-4-6-17(14-16)24-2/h4-8,13-14H,9-12H2,1-3H3.
What are the key properties of (2-methoxy-5-methylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
(2-methoxy-5-methylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 340.42 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-5-methylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 38575305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).