(2,6-dimethoxyphenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone

C24H26N2O3 — CID 1112837

IUPAC(2,6-dimethoxyphenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
SMILESCOc1cccc(OC)c1C(=O)N1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C24H26N2O3/c1-28-21-11-6-12-22(29-2)23(21)24(27)26-15-13-25(14-16-26)17-19-9-5-8-18-7-3-4-10-20(18)19/h3-12H,13-17H2,1-2H3
InChIKeyWORNYIIJZROOGF-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.82
Rot. Bonds5

About (2,6-dimethoxyphenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone

(2,6-dimethoxyphenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone (PubChem CID 1112837) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
PubChem CID1112837
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name(2,6-dimethoxyphenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
SMILESCOc1cccc(OC)c1C(=O)N1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C24H26N2O3/c1-28-21-11-6-12-22(29-2)23(21)24(27)26-15-13-25(14-16-26)17-19-9-5-8-18-7-3-4-10-20(18)19/h3-12H,13-17H2,1-2H3
InChIKeyWORNYIIJZROOGF-UHFFFAOYSA-N
XLogP3.82
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-dimethoxyphenyl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 1112852
3-(2-methoxyphenoxy)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one
CID 60601108
(2,6-dimethoxyphenyl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone
CID 1126126
naphthalen-1-yl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1122414
1-[4-[(4-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]ethanone
CID 135293907
(4-methoxyphenyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 704389
[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 1116488
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one
CID 60601295
[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methanone
CID 43920568
[4-[(4-bromophenyl)methyl]piperazin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 1002548
(3,5-difluorophenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 9397599
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (2,6-dimethoxyphenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone (CID 1112837) is (2,6-dimethoxyphenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,6-dimethoxyphenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,6-dimethoxyphenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone is COc1cccc(OC)c1C(=O)N1CCN(Cc2cccc3ccccc23)CC1.
What is the InChIKey of (2,6-dimethoxyphenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is WORNYIIJZROOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-28-21-11-6-12-22(29-2)23(21)24(27)26-15-13-25(14-16-26)17-19-9-5-8-18-7-3-4-10-20(18)19/h3-12H,13-17H2,1-2H3.
What are the key properties of (2,6-dimethoxyphenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone?
(2,6-dimethoxyphenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 390.48 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 1112837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).