2-[(1-benzylpiperidin-4-yl)amino]-N-(2,5-dimethylphenyl)-2-phenylacetamide

C28H33N3O — CID 4795826

IUPAC2-[(1-benzylpiperidin-4-yl)amino]-N-(2,5-dimethylphenyl)-2-phenylacetamide
SMILESCc1ccc(C)c(NC(=O)C(NC2CCN(Cc3ccccc3)CC2)c2ccccc2)c1
InChIInChI=1S/C28H33N3O/c1-21-13-14-22(2)26(19-21)30-28(32)27(24-11-7-4-8-12-24)29-25-15-17-31(18-16-25)20-23-9-5-3-6-10-23/h3-14,19,25,27,29H,15-18,20H2,1-2H3,(H,30,32)
InChIKeyZMDKOQZOTYNUEF-UHFFFAOYSA-N
MW427.59 g/mol
LogP5.24
Rot. Bonds7

About 2-[(1-benzylpiperidin-4-yl)amino]-N-(2,5-dimethylphenyl)-2-phenylacetamide

2-[(1-benzylpiperidin-4-yl)amino]-N-(2,5-dimethylphenyl)-2-phenylacetamide (PubChem CID 4795826) has the molecular formula C28H33N3O and a molecular weight of 427.59 g/mol. Its IUPAC name is 2-[(1-benzylpiperidin-4-yl)amino]-N-(2,5-dimethylphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-[(1-benzylpiperidin-4-yl)amino]-N-(2,5-dimethylphenyl)-2-phenylacetamide
PubChem CID4795826
Molecular FormulaC28H33N3O
Molecular Weight427.59 g/mol
Exact Mass427.26
IUPAC Name2-[(1-benzylpiperidin-4-yl)amino]-N-(2,5-dimethylphenyl)-2-phenylacetamide
SMILESCc1ccc(C)c(NC(=O)C(NC2CCN(Cc3ccccc3)CC2)c2ccccc2)c1
InChIInChI=1S/C28H33N3O/c1-21-13-14-22(2)26(19-21)30-28(32)27(24-11-7-4-8-12-24)29-25-15-17-31(18-16-25)20-23-9-5-3-6-10-23/h3-14,19,25,27,29H,15-18,20H2,1-2H3,(H,30,32)
InChIKeyZMDKOQZOTYNUEF-UHFFFAOYSA-N
XLogP5.24
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.59
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(2,5-dimethylphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-phenylacetamide
CID 8009326
(2S)-N-(2,5-dimethylphenyl)-2-phenyl-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]acetamide
CID 40811390
1-benzyl-N-[1-(2,5-dimethylphenyl)ethyl]piperidin-4-amine
CID 122176958
N-(2,5-dimethylphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45019725
(2S)-N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)methylamino]-2-phenylacetamide
CID 7928830
N-(2,5-dimethylphenyl)-2-phenyl-2-(propylamino)acetamide
CID 4781429
N-(1-benzylpiperidin-4-yl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide
CID 84567171
1-(1-benzylpyrrolidin-3-yl)-3-(2,4-dimethylphenyl)urea
CID 23905235
1-benzyl-N-(2,5-dimethylphenyl)piperidine-3-carboxamide
CID 43919133
(2R)-N-(1-benzylpiperidin-4-yl)-2-hydroxy-2-phenylacetamide
CID 118541642
(2R)-N-(2,5-dimethylphenyl)-2-(2-methylpropylamino)-2-phenylacetamide
CID 2396119
(2S)-2-[[(4S)-3,4-dihydro-2H-thiochromen-4-yl]amino]-N-(2,5-dimethylphenyl)-2-phenylacetamide
CID 8773904

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpiperidin-4-yl)amino]-N-(2,5-dimethylphenyl)-2-phenylacetamide?
The IUPAC name of 2-[(1-benzylpiperidin-4-yl)amino]-N-(2,5-dimethylphenyl)-2-phenylacetamide (CID 4795826) is 2-[(1-benzylpiperidin-4-yl)amino]-N-(2,5-dimethylphenyl)-2-phenylacetamide.
What is the SMILES notation for 2-[(1-benzylpiperidin-4-yl)amino]-N-(2,5-dimethylphenyl)-2-phenylacetamide?
The canonical SMILES for 2-[(1-benzylpiperidin-4-yl)amino]-N-(2,5-dimethylphenyl)-2-phenylacetamide is Cc1ccc(C)c(NC(=O)C(NC2CCN(Cc3ccccc3)CC2)c2ccccc2)c1.
What is the InChIKey of 2-[(1-benzylpiperidin-4-yl)amino]-N-(2,5-dimethylphenyl)-2-phenylacetamide?
The InChIKey is ZMDKOQZOTYNUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O/c1-21-13-14-22(2)26(19-21)30-28(32)27(24-11-7-4-8-12-24)29-25-15-17-31(18-16-25)20-23-9-5-3-6-10-23/h3-14,19,25,27,29H,15-18,20H2,1-2H3,(H,30,32).
What are the key properties of 2-[(1-benzylpiperidin-4-yl)amino]-N-(2,5-dimethylphenyl)-2-phenylacetamide?
2-[(1-benzylpiperidin-4-yl)amino]-N-(2,5-dimethylphenyl)-2-phenylacetamide has a molecular weight of 427.59 g/mol, XLogP of 5.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylpiperidin-4-yl)amino]-N-(2,5-dimethylphenyl)-2-phenylacetamide is sourced from PubChem (CID 4795826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).