(1-methoxynaphthalen-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone

C26H30N2O5 — CID 14676158

IUPAC(1-methoxynaphthalen-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
SMILESCOc1cc(CN2CCN(C(=O)c3ccc4ccccc4c3OC)CC2)cc(OC)c1OC
InChIInChI=1S/C26H30N2O5/c1-30-22-15-18(16-23(31-2)25(22)33-4)17-27-11-13-28(14-12-27)26(29)21-10-9-19-7-5-6-8-20(19)24(21)32-3/h5-10,15-16H,11-14,17H2,1-4H3
InChIKeyCNPUBUDKQCTKCH-UHFFFAOYSA-N
MW450.54 g/mol
LogP3.83
Rot. Bonds7

About (1-methoxynaphthalen-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone

(1-methoxynaphthalen-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 14676158) has the molecular formula C26H30N2O5 and a molecular weight of 450.54 g/mol. Its IUPAC name is (1-methoxynaphthalen-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-methoxynaphthalen-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
PubChem CID14676158
Molecular FormulaC26H30N2O5
Molecular Weight450.54 g/mol
Exact Mass450.22
IUPAC Name(1-methoxynaphthalen-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
SMILESCOc1cc(CN2CCN(C(=O)c3ccc4ccccc4c3OC)CC2)cc(OC)c1OC
InChIInChI=1S/C26H30N2O5/c1-30-22-15-18(16-23(31-2)25(22)33-4)17-27-11-13-28(14-12-27)26(29)21-10-9-19-7-5-6-8-20(19)24(21)32-3/h5-10,15-16H,11-14,17H2,1-4H3
InChIKeyCNPUBUDKQCTKCH-UHFFFAOYSA-N
XLogP3.83
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1-methoxynaphthalen-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

quinolin-2-yl-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 23045035
1,6-dimethyl-3-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1-carbonyl]pyridin-2-one
CID 46970932
(2,3-dimethoxyphenyl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone;oxalic acid
CID 17366104
naphthalen-1-yl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1122414
naphthalen-1-yl-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone
CID 7324221
[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 19323261
(2,6-dimethoxyphenyl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone
CID 1126126
2-chloro-1-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 10759766
(3-fluorophenyl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone;oxalic acid
CID 17366596
(1-methoxynaphthalen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 90382736
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 1116501
(2-fluorophenyl)-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]methanone
CID 1112882

Frequently Asked Questions

What is the IUPAC name of (1-methoxynaphthalen-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (1-methoxynaphthalen-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone (CID 14676158) is (1-methoxynaphthalen-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (1-methoxynaphthalen-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (1-methoxynaphthalen-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone is COc1cc(CN2CCN(C(=O)c3ccc4ccccc4c3OC)CC2)cc(OC)c1OC.
What is the InChIKey of (1-methoxynaphthalen-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is CNPUBUDKQCTKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O5/c1-30-22-15-18(16-23(31-2)25(22)33-4)17-27-11-13-28(14-12-27)26(29)21-10-9-19-7-5-6-8-20(19)24(21)32-3/h5-10,15-16H,11-14,17H2,1-4H3.
What are the key properties of (1-methoxynaphthalen-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone?
(1-methoxynaphthalen-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 450.54 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxynaphthalen-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 14676158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).