methane;methyl 2-phenyl-2-piperazin-1-ylacetate;methyl 2-phenyl-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]piperazin-1-yl]acetate;5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanal;hydrochloride

C53H77ClN8O5 — CID 161366525

About methane;methyl 2-phenyl-2-piperazin-1-ylacetate;methyl 2-phenyl-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]piperazin-1-yl]acetate;5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanal;hydrochloride

methane;methyl 2-phenyl-2-piperazin-1-ylacetate;methyl 2-phenyl-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]piperazin-1-yl]acetate;5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanal;hydrochloride (PubChem CID 161366525) has the molecular formula C53H77ClN8O5 and a molecular weight of 941.70 g/mol. Its IUPAC name is methane;methyl 2-phenyl-2-piperazin-1-ylacetate;methyl 2-phenyl-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]piperazin-1-yl]acetate;5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanal;hydrochloride.

Molecular Properties

• Compound Name: methane;methyl 2-phenyl-2-piperazin-1-ylacetate;methyl 2-phenyl-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]piperazin-1-yl]acetate;5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanal;hydrochloride
• PubChem CID: 161366525
• Molecular Formula: C53H77ClN8O5
• Molecular Weight: 941.70 g/mol
• Exact Mass: 940.57
• IUPAC Name: methane;methyl 2-phenyl-2-piperazin-1-ylacetate;methyl 2-phenyl-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]piperazin-1-yl]acetate;5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanal;hydrochloride
• SMILES: C.COC(=O)C(c1ccccc1)N1CCN(CCCCCc2ccc3c(n2)NCCC3)CC1.COC(=O)C(c1ccccc1)N1CCNCC1.Cl.O=CCCCCc1ccc2c(n1)NCCC2
• InChI: InChI=1S/C26H36N4O2.C13H18N2O2.C13H18N2O.CH4.ClH/c1-32-26(31)24(21-9-4-2-5-10-21)30-19-17-29(18-20-30)16-7-3-6-12-23-14-13-22-11-8-15-27-25(22)28-23;1-17-13(16)12(11-5-3-2-4-6-11)15-9-7-14-8-10-15;16-10-3-1-2-6-12-8-7-11-5-4-9-14-13(11)15-12;;/h2,4-5,9-10,13-14,24H,3,6-8,11-12,15-20H2,1H3,(H,27,28);2-6,12,14H,7-10H2,1H3;7-8,10H,1-6,9H2,(H,14,15);1H4;1H
• InChIKey: GSGRIXDMAIZAKW-UHFFFAOYSA-N
• XLogP: 7.90
• TPSA: 141.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 17
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	941.70
LogP ≤ 5	7.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methane;methyl 2-phenyl-2-piperazin-1-ylacetate;methyl 2-phenyl-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]piperazin-1-yl]acetate;5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanal;hydrochloride?

The IUPAC name of methane;methyl 2-phenyl-2-piperazin-1-ylacetate;methyl 2-phenyl-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]piperazin-1-yl]acetate;5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanal;hydrochloride (CID 161366525) is methane;methyl 2-phenyl-2-piperazin-1-ylacetate;methyl 2-phenyl-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]piperazin-1-yl]acetate;5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanal;hydrochloride.

What is the SMILES notation for methane;methyl 2-phenyl-2-piperazin-1-ylacetate;methyl 2-phenyl-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]piperazin-1-yl]acetate;5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanal;hydrochloride?

The canonical SMILES for methane;methyl 2-phenyl-2-piperazin-1-ylacetate;methyl 2-phenyl-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]piperazin-1-yl]acetate;5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanal;hydrochloride is C.COC(=O)C(c1ccccc1)N1CCN(CCCCCc2ccc3c(n2)NCCC3)CC1.COC(=O)C(c1ccccc1)N1CCNCC1.Cl.O=CCCCCc1ccc2c(n1)NCCC2.

What is the InChIKey of methane;methyl 2-phenyl-2-piperazin-1-ylacetate;methyl 2-phenyl-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]piperazin-1-yl]acetate;5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanal;hydrochloride?

The InChIKey is GSGRIXDMAIZAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O2.C13H18N2O2.C13H18N2O.CH4.ClH/c1-32-26(31)24(21-9-4-2-5-10-21)30-19-17-29(18-20-30)16-7-3-6-12-23-14-13-22-11-8-15-27-25(22)28-23;1-17-13(16)12(11-5-3-2-4-6-11)15-9-7-14-8-10-15;16-10-3-1-2-6-12-8-7-11-5-4-9-14-13(11)15-12;;/h2,4-5,9-10,13-14,24H,3,6-8,11-12,15-20H2,1H3,(H,27,28);2-6,12,14H,7-10H2,1H3;7-8,10H,1-6,9H2,(H,14,15);1H4;1H.

What are the key properties of methane;methyl 2-phenyl-2-piperazin-1-ylacetate;methyl 2-phenyl-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]piperazin-1-yl]acetate;5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanal;hydrochloride?

methane;methyl 2-phenyl-2-piperazin-1-ylacetate;methyl 2-phenyl-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]piperazin-1-yl]acetate;5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanal;hydrochloride has a molecular weight of 941.70 g/mol, XLogP of 7.90, 17 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for methane;methyl 2-phenyl-2-piperazin-1-ylacetate;methyl 2-phenyl-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]piperazin-1-yl]acetate;5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanal;hydrochloride is sourced from PubChem (CID 161366525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).