2-(4-benzoylpiperazin-1-ium-1-yl)-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C24H30N3O2+ — CID 9348381

IUPAC2-(4-benzoylpiperazin-1-ium-1-yl)-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCN(C(=O)C[NH+]1CCN(C(=O)c2ccccc2)CC1)[C@@H]1CCCc2ccccc21
InChIInChI=1S/C24H29N3O2/c1-25(22-13-7-11-19-8-5-6-12-21(19)22)23(28)18-26-14-16-27(17-15-26)24(29)20-9-3-2-4-10-20/h2-6,8-10,12,22H,7,11,13-18H2,1H3/p+1/t22-/m1/s1
InChIKeyUATOQORSKNWILE-JOCHJYFZSA-O
MW392.52 g/mol
LogP1.56
Rot. Bonds4

About 2-(4-benzoylpiperazin-1-ium-1-yl)-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-(4-benzoylpiperazin-1-ium-1-yl)-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 9348381) has the molecular formula C24H30N3O2+ and a molecular weight of 392.52 g/mol. Its IUPAC name is 2-(4-benzoylpiperazin-1-ium-1-yl)-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-(4-benzoylpiperazin-1-ium-1-yl)-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID9348381
Molecular FormulaC24H30N3O2+
Molecular Weight392.52 g/mol
Exact Mass392.23
IUPAC Name2-(4-benzoylpiperazin-1-ium-1-yl)-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCN(C(=O)C[NH+]1CCN(C(=O)c2ccccc2)CC1)[C@@H]1CCCc2ccccc21
InChIInChI=1S/C24H29N3O2/c1-25(22-13-7-11-19-8-5-6-12-21(19)22)23(28)18-26-14-16-27(17-15-26)24(29)20-9-3-2-4-10-20/h2-6,8-10,12,22H,7,11,13-18H2,1H3/p+1/t22-/m1/s1
InChIKeyUATOQORSKNWILE-JOCHJYFZSA-O
XLogP1.56
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9346527
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 39976733
3-methyl-5-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-5-oxopentanoic acid
CID 62966289
2-(tert-butylamino)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 112724240
2-(2-methoxyethoxy)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 103601646
3-(ethylamino)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 3064453
4-hydroxy-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
CID 79200379
2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 111113798
N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide
CID 42916496
2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
CID 118026509
N,N-dimethyl-2-[4-(4-phenoxybenzoyl)piperazin-1-ium-1-yl]acetamide
CID 9021756
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9346528

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpiperazin-1-ium-1-yl)-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-(4-benzoylpiperazin-1-ium-1-yl)-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 9348381) is 2-(4-benzoylpiperazin-1-ium-1-yl)-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-(4-benzoylpiperazin-1-ium-1-yl)-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-(4-benzoylpiperazin-1-ium-1-yl)-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is CN(C(=O)C[NH+]1CCN(C(=O)c2ccccc2)CC1)[C@@H]1CCCc2ccccc21.
What is the InChIKey of 2-(4-benzoylpiperazin-1-ium-1-yl)-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is UATOQORSKNWILE-JOCHJYFZSA-O. The full InChI is InChI=1S/C24H29N3O2/c1-25(22-13-7-11-19-8-5-6-12-21(19)22)23(28)18-26-14-16-27(17-15-26)24(29)20-9-3-2-4-10-20/h2-6,8-10,12,22H,7,11,13-18H2,1H3/p+1/t22-/m1/s1.
What are the key properties of 2-(4-benzoylpiperazin-1-ium-1-yl)-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-(4-benzoylpiperazin-1-ium-1-yl)-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 392.52 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylpiperazin-1-ium-1-yl)-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 9348381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).