2-[4-[(2S,4R)-2-benzylpiperidin-4-yl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide

C26H36N4O — CID 86619162

IUPAC2-[4-[(2S,4R)-2-benzylpiperidin-4-yl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN1CCN([C@@H]2CCN[C@@H](Cc3ccccc3)C2)CC1
InChIInChI=1S/C26H36N4O/c1-20-7-6-8-21(2)26(20)28-25(31)19-29-13-15-30(16-14-29)24-11-12-27-23(18-24)17-22-9-4-3-5-10-22/h3-10,23-24,27H,11-19H2,1-2H3,(H,28,31)/t23-,24+/m0/s1
InChIKeyOYPCHNYKOXLDCM-BJKOFHAPSA-N
MW420.60 g/mol
LogP3.22
Rot. Bonds6

About 2-[4-[(2S,4R)-2-benzylpiperidin-4-yl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide

2-[4-[(2S,4R)-2-benzylpiperidin-4-yl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 86619162) has the molecular formula C26H36N4O and a molecular weight of 420.60 g/mol. Its IUPAC name is 2-[4-[(2S,4R)-2-benzylpiperidin-4-yl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(2S,4R)-2-benzylpiperidin-4-yl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
PubChem CID86619162
Molecular FormulaC26H36N4O
Molecular Weight420.60 g/mol
Exact Mass420.29
IUPAC Name2-[4-[(2S,4R)-2-benzylpiperidin-4-yl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN1CCN([C@@H]2CCN[C@@H](Cc3ccccc3)C2)CC1
InChIInChI=1S/C26H36N4O/c1-20-7-6-8-21(2)26(20)28-25(31)19-29-13-15-30(16-14-29)24-11-12-27-23(18-24)17-22-9-4-3-5-10-22/h3-10,23-24,27H,11-19H2,1-2H3,(H,28,31)/t23-,24+/m0/s1
InChIKeyOYPCHNYKOXLDCM-BJKOFHAPSA-N
XLogP3.22
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.60
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(2S,4R)-2-benzylpiperidin-4-yl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide with MolForge

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Related Compounds

2-[4-[(3S,5R)-5-benzyl-1-[3,5-bis(trifluoromethyl)benzoyl]pyrrolidin-3-yl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 86619160
N-[1-[(2S,4R)-2-benzylpiperidin-4-yl]-4-phenylpiperidin-4-yl]acetamide;dihydrochloride
CID 142636639
2-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 56509640
3-[[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]methyl]benzoic acid
CID 122028519
2-(4-butylpiperazin-1-yl)-N-(2,6-dimethylphenyl)acetamide
CID 11666629
2-[4-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 8917657
N-(2,6-dimethylphenyl)-2-[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazin-1-yl]acetamide
CID 9435748
2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 51864031
N-(2,6-dimethylphenyl)-2-[4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-1-yl]acetamide
CID 120982303
2-(1,4-diazepan-1-yl)-N-(2,6-dimethylphenyl)acetamide
CID 43162514
1-[2-(2,6-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 800463
N-(2,6-dimethylphenyl)-2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]acetamide
CID 45281353

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2S,4R)-2-benzylpiperidin-4-yl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[4-[(2S,4R)-2-benzylpiperidin-4-yl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide (CID 86619162) is 2-[4-[(2S,4R)-2-benzylpiperidin-4-yl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-[(2S,4R)-2-benzylpiperidin-4-yl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[4-[(2S,4R)-2-benzylpiperidin-4-yl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)CN1CCN([C@@H]2CCN[C@@H](Cc3ccccc3)C2)CC1.
What is the InChIKey of 2-[4-[(2S,4R)-2-benzylpiperidin-4-yl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is OYPCHNYKOXLDCM-BJKOFHAPSA-N. The full InChI is InChI=1S/C26H36N4O/c1-20-7-6-8-21(2)26(20)28-25(31)19-29-13-15-30(16-14-29)24-11-12-27-23(18-24)17-22-9-4-3-5-10-22/h3-10,23-24,27H,11-19H2,1-2H3,(H,28,31)/t23-,24+/m0/s1.
What are the key properties of 2-[4-[(2S,4R)-2-benzylpiperidin-4-yl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
2-[4-[(2S,4R)-2-benzylpiperidin-4-yl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 420.60 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2S,4R)-2-benzylpiperidin-4-yl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 86619162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).