2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C23H30N3O2+ — CID 9346527

IUPAC2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCN(C(=O)C[NH+]1CCN(c2ccccc2O)CC1)[C@H]1CCCc2ccccc21
InChIInChI=1S/C23H29N3O2/c1-24(20-11-6-8-18-7-2-3-9-19(18)20)23(28)17-25-13-15-26(16-14-25)21-10-4-5-12-22(21)27/h2-5,7,9-10,12,20,27H,6,8,11,13-17H2,1H3/p+1/t20-/m0/s1
InChIKeyUEVMVTYFPGXNIB-FQEVSTJZSA-O
MW380.51 g/mol
LogP1.63
Rot. Bonds4

About 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 9346527) has the molecular formula C23H30N3O2+ and a molecular weight of 380.51 g/mol. Its IUPAC name is 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID9346527
Molecular FormulaC23H30N3O2+
Molecular Weight380.51 g/mol
Exact Mass380.23
IUPAC Name2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCN(C(=O)C[NH+]1CCN(c2ccccc2O)CC1)[C@H]1CCCc2ccccc21
InChIInChI=1S/C23H29N3O2/c1-24(20-11-6-8-18-7-2-3-9-19(18)20)23(28)17-25-13-15-26(16-14-25)21-10-4-5-12-22(21)27/h2-5,7,9-10,12,20,27H,6,8,11,13-17H2,1H3/p+1/t20-/m0/s1
InChIKeyUEVMVTYFPGXNIB-FQEVSTJZSA-O
XLogP1.63
TPSA48.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9346528
2-(4-benzoylpiperazin-1-ium-1-yl)-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9348381
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9347111
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 60511940
2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2122916
2-(tert-butylamino)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 112724240
3-(ethylamino)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 3064453
2-(2-methoxyethoxy)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 103601646
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
3-methyl-5-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-5-oxopentanoic acid
CID 62966289
N-cyclopropyl-2-[methyl-[2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide
CID 8910380

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 9346527) is 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is CN(C(=O)C[NH+]1CCN(c2ccccc2O)CC1)[C@H]1CCCc2ccccc21.
What is the InChIKey of 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is UEVMVTYFPGXNIB-FQEVSTJZSA-O. The full InChI is InChI=1S/C23H29N3O2/c1-24(20-11-6-8-18-7-2-3-9-19(18)20)23(28)17-25-13-15-26(16-14-25)21-10-4-5-12-22(21)27/h2-5,7,9-10,12,20,27H,6,8,11,13-17H2,1H3/p+1/t20-/m0/s1.
What are the key properties of 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 380.51 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 9346527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).