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

C26H35N3O3 — CID 10812885

IUPAC5-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCOc1ccccc1N1CCN(CCCNC(=O)C2CCCc3c(OC)cccc32)CC1
InChIInChI=1S/C26H35N3O3/c1-31-24-13-6-8-20-21(24)9-5-10-22(20)26(30)27-14-7-15-28-16-18-29(19-17-28)23-11-3-4-12-25(23)32-2/h3-4,6,8,11-13,22H,5,7,9-10,14-19H2,1-2H3,(H,27,30)
InChIKeyLTLCYGQKNCSZNO-UHFFFAOYSA-N
MW437.58 g/mol
LogP3.45
Rot. Bonds8

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

5-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 10812885) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is 5-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID10812885
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC Name5-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCOc1ccccc1N1CCN(CCCNC(=O)C2CCCc3c(OC)cccc32)CC1
InChIInChI=1S/C26H35N3O3/c1-31-24-13-6-8-20-21(24)9-5-10-22(20)26(30)27-14-7-15-28-16-18-29(19-17-28)23-11-3-4-12-25(23)32-2/h3-4,6,8,11-13,22H,5,7,9-10,14-19H2,1-2H3,(H,27,30)
InChIKeyLTLCYGQKNCSZNO-UHFFFAOYSA-N
XLogP3.45
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of 5-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 10812885) is 5-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for 5-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for 5-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is COc1ccccc1N1CCN(CCCNC(=O)C2CCCc3c(OC)cccc32)CC1.
What is the InChIKey of 5-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is LTLCYGQKNCSZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3/c1-31-24-13-6-8-20-21(24)9-5-10-22(20)26(30)27-14-7-15-28-16-18-29(19-17-28)23-11-3-4-12-25(23)32-2/h3-4,6,8,11-13,22H,5,7,9-10,14-19H2,1-2H3,(H,27,30).
What are the key properties of 5-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
5-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 437.58 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 10812885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).