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

C24H32N4O2 — CID 10763976

IUPAC5-methoxy-N-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCOc1cccc2c1CCCC2C(=O)NCCCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C24H32N4O2/c1-30-22-10-5-7-19-20(22)8-4-9-21(19)24(29)26-13-6-14-27-15-17-28(18-16-27)23-11-2-3-12-25-23/h2-3,5,7,10-12,21H,4,6,8-9,13-18H2,1H3,(H,26,29)
InChIKeyGECKXGAYBCMYGN-UHFFFAOYSA-N
MW408.55 g/mol
LogP2.84
Rot. Bonds7

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

5-methoxy-N-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 10763976) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 5-methoxy-N-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID10763976
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name5-methoxy-N-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCOc1cccc2c1CCCC2C(=O)NCCCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C24H32N4O2/c1-30-22-10-5-7-19-20(22)8-4-9-21(19)24(29)26-13-6-14-27-15-17-28(18-16-27)23-11-2-3-12-25-23/h2-3,5,7,10-12,21H,4,6,8-9,13-18H2,1H3,(H,26,29)
InChIKeyGECKXGAYBCMYGN-UHFFFAOYSA-N
XLogP2.84
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-pyridin-2-ylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of 5-methoxy-N-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 10763976) is 5-methoxy-N-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for 5-methoxy-N-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for 5-methoxy-N-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is COc1cccc2c1CCCC2C(=O)NCCCN1CCN(c2ccccn2)CC1.
What is the InChIKey of 5-methoxy-N-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is GECKXGAYBCMYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-30-22-10-5-7-19-20(22)8-4-9-21(19)24(29)26-13-6-14-27-15-17-28(18-16-27)23-11-2-3-12-25-23/h2-3,5,7,10-12,21H,4,6,8-9,13-18H2,1H3,(H,26,29).
What are the key properties of 5-methoxy-N-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
5-methoxy-N-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 408.55 g/mol, XLogP of 2.84, 7 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-pyridin-2-ylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 10763976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).