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

C25H33N3O2 — CID 10716365

IUPAC5-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCOc1cccc2c1CCCC2C(=O)NCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H33N3O2/c1-30-24-13-6-10-21-22(24)11-5-12-23(21)25(29)26-14-7-15-27-16-18-28(19-17-27)20-8-3-2-4-9-20/h2-4,6,8-10,13,23H,5,7,11-12,14-19H2,1H3,(H,26,29)
InChIKeyGQMJKOKDIZUSHW-UHFFFAOYSA-N
MW407.56 g/mol
LogP3.44
Rot. Bonds7

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

5-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 10716365) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 5-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID10716365
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC Name5-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCOc1cccc2c1CCCC2C(=O)NCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H33N3O2/c1-30-24-13-6-10-21-22(24)11-5-12-23(21)25(29)26-14-7-15-27-16-18-28(19-17-27)20-8-3-2-4-9-20/h2-4,6,8-10,13,23H,5,7,11-12,14-19H2,1H3,(H,26,29)
InChIKeyGQMJKOKDIZUSHW-UHFFFAOYSA-N
XLogP3.44
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of 5-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 10716365) is 5-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for 5-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for 5-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is COc1cccc2c1CCCC2C(=O)NCCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 5-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is GQMJKOKDIZUSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-30-24-13-6-10-21-22(24)11-5-12-23(21)25(29)26-14-7-15-27-16-18-28(19-17-27)20-8-3-2-4-9-20/h2-4,6,8-10,13,23H,5,7,11-12,14-19H2,1H3,(H,26,29).
What are the key properties of 5-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
5-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 407.56 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 10716365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).