5-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C26H35N3O3 — CID 11797259

IUPAC5-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCOc1ccccc1N1CCN(CCN(C)C(=O)C2CCCc3c(OC)cccc32)CC1
InChIInChI=1S/C26H35N3O3/c1-27(26(30)22-10-6-9-21-20(22)8-7-13-24(21)31-2)14-15-28-16-18-29(19-17-28)23-11-4-5-12-25(23)32-3/h4-5,7-8,11-13,22H,6,9-10,14-19H2,1-3H3
InChIKeyZHOHSCVJNOKADU-UHFFFAOYSA-N
MW437.58 g/mol
LogP3.40
Rot. Bonds7

About 5-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide

5-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 11797259) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is 5-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID11797259
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC Name5-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCOc1ccccc1N1CCN(CCN(C)C(=O)C2CCCc3c(OC)cccc32)CC1
InChIInChI=1S/C26H35N3O3/c1-27(26(30)22-10-6-9-21-20(22)8-7-13-24(21)31-2)14-15-28-16-18-29(19-17-28)23-11-4-5-12-25(23)32-3/h4-5,7-8,11-13,22H,6,9-10,14-19H2,1-3H3
InChIKeyZHOHSCVJNOKADU-UHFFFAOYSA-N
XLogP3.40
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of 5-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 11797259) is 5-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for 5-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for 5-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide is COc1ccccc1N1CCN(CCN(C)C(=O)C2CCCc3c(OC)cccc32)CC1.
What is the InChIKey of 5-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is ZHOHSCVJNOKADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3/c1-27(26(30)22-10-6-9-21-20(22)8-7-13-24(21)31-2)14-15-28-16-18-29(19-17-28)23-11-4-5-12-25(23)32-3/h4-5,7-8,11-13,22H,6,9-10,14-19H2,1-3H3.
What are the key properties of 5-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
5-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 437.58 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 11797259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).