methyl-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-[(2-piperidin-1-ylphenyl)methyl]azanium

C25H34N3O+ — CID 9296476

IUPACmethyl-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-[(2-piperidin-1-ylphenyl)methyl]azanium
SMILESC[NH+](CC(=O)N[C@H]1CCCc2ccccc21)Cc1ccccc1N1CCCCC1
InChIInChI=1S/C25H33N3O/c1-27(18-21-11-4-6-15-24(21)28-16-7-2-8-17-28)19-25(29)26-23-14-9-12-20-10-3-5-13-22(20)23/h3-6,10-11,13,15,23H,2,7-9,12,14,16-19H2,1H3,(H,26,29)/p+1/t23-/m0/s1
InChIKeyARCITDFMNHDZSL-QHCPKHFHSA-O
MW392.57 g/mol
LogP2.89
Rot. Bonds6

About methyl-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-[(2-piperidin-1-ylphenyl)methyl]azanium

methyl-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-[(2-piperidin-1-ylphenyl)methyl]azanium (PubChem CID 9296476) has the molecular formula C25H34N3O+ and a molecular weight of 392.57 g/mol. Its IUPAC name is methyl-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-[(2-piperidin-1-ylphenyl)methyl]azanium.

Molecular Properties

Compound Namemethyl-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-[(2-piperidin-1-ylphenyl)methyl]azanium
PubChem CID9296476
Molecular FormulaC25H34N3O+
Molecular Weight392.57 g/mol
Exact Mass392.27
IUPAC Namemethyl-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-[(2-piperidin-1-ylphenyl)methyl]azanium
SMILESC[NH+](CC(=O)N[C@H]1CCCc2ccccc21)Cc1ccccc1N1CCCCC1
InChIInChI=1S/C25H33N3O/c1-27(18-21-11-4-6-15-24(21)28-16-7-2-8-17-28)19-25(29)26-23-14-9-12-20-10-3-5-13-22(20)23/h3-6,10-11,13,15,23H,2,7-9,12,14,16-19H2,1H3,(H,26,29)/p+1/t23-/m0/s1
InChIKeyARCITDFMNHDZSL-QHCPKHFHSA-O
XLogP2.89
TPSA36.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.57
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze methyl-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-[(2-piperidin-1-ylphenyl)methyl]azanium with MolForge

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Related Compounds

(2-chlorophenyl)methyl-methyl-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
CID 9058009
methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
CID 9049425
(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
CID 8805450
(5-chlorothiophen-2-yl)methyl-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
CID 9295679
(3-fluorophenyl)methyl-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
CID 8961887
(4-ethoxyphenyl)methyl-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
CID 2532930
2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7826024
methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
CID 9166290
2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2122916
2-(2-methylpiperidin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 51170933
2-(2-fluorophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2406192
2-(1-methylpiperidin-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 133204363

Frequently Asked Questions

What is the IUPAC name of methyl-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-[(2-piperidin-1-ylphenyl)methyl]azanium?
The IUPAC name of methyl-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-[(2-piperidin-1-ylphenyl)methyl]azanium (CID 9296476) is methyl-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-[(2-piperidin-1-ylphenyl)methyl]azanium.
What is the SMILES notation for methyl-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-[(2-piperidin-1-ylphenyl)methyl]azanium?
The canonical SMILES for methyl-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-[(2-piperidin-1-ylphenyl)methyl]azanium is C[NH+](CC(=O)N[C@H]1CCCc2ccccc21)Cc1ccccc1N1CCCCC1.
What is the InChIKey of methyl-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-[(2-piperidin-1-ylphenyl)methyl]azanium?
The InChIKey is ARCITDFMNHDZSL-QHCPKHFHSA-O. The full InChI is InChI=1S/C25H33N3O/c1-27(18-21-11-4-6-15-24(21)28-16-7-2-8-17-28)19-25(29)26-23-14-9-12-20-10-3-5-13-22(20)23/h3-6,10-11,13,15,23H,2,7-9,12,14,16-19H2,1H3,(H,26,29)/p+1/t23-/m0/s1.
What are the key properties of methyl-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-[(2-piperidin-1-ylphenyl)methyl]azanium?
methyl-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-[(2-piperidin-1-ylphenyl)methyl]azanium has a molecular weight of 392.57 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-[(2-piperidin-1-ylphenyl)methyl]azanium is sourced from PubChem (CID 9296476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).