[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-methoxynaphthalen-2-yl)methanone

C24H26N2O3 — CID 9415520

IUPAC[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-methoxynaphthalen-2-yl)methanone
SMILESCCOc1ccccc1N1CCN(C(=O)c2cc3ccccc3cc2OC)CC1
InChIInChI=1S/C24H26N2O3/c1-3-29-22-11-7-6-10-21(22)25-12-14-26(15-13-25)24(27)20-16-18-8-4-5-9-19(18)17-23(20)28-2/h4-11,16-17H,3,12-15H2,1-2H3
InChIKeyMATVQBKTCQLKHX-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.21
Rot. Bonds5

About [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-methoxynaphthalen-2-yl)methanone

[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-methoxynaphthalen-2-yl)methanone (PubChem CID 9415520) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-methoxynaphthalen-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-methoxynaphthalen-2-yl)methanone
PubChem CID9415520
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-methoxynaphthalen-2-yl)methanone
SMILESCCOc1ccccc1N1CCN(C(=O)c2cc3ccccc3cc2OC)CC1
InChIInChI=1S/C24H26N2O3/c1-3-29-22-11-7-6-10-21(22)25-12-14-26(15-13-25)24(27)20-16-18-8-4-5-9-19(18)17-23(20)28-2/h4-11,16-17H,3,12-15H2,1-2H3
InChIKeyMATVQBKTCQLKHX-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-methoxynaphthalen-2-yl)methanone?
The IUPAC name of [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-methoxynaphthalen-2-yl)methanone (CID 9415520) is [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-methoxynaphthalen-2-yl)methanone.
What is the SMILES notation for [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-methoxynaphthalen-2-yl)methanone?
The canonical SMILES for [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-methoxynaphthalen-2-yl)methanone is CCOc1ccccc1N1CCN(C(=O)c2cc3ccccc3cc2OC)CC1.
What is the InChIKey of [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-methoxynaphthalen-2-yl)methanone?
The InChIKey is MATVQBKTCQLKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-3-29-22-11-7-6-10-21(22)25-12-14-26(15-13-25)24(27)20-16-18-8-4-5-9-19(18)17-23(20)28-2/h4-11,16-17H,3,12-15H2,1-2H3.
What are the key properties of [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-methoxynaphthalen-2-yl)methanone?
[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-methoxynaphthalen-2-yl)methanone has a molecular weight of 390.48 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-methoxynaphthalen-2-yl)methanone is sourced from PubChem (CID 9415520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).