2-(4-benzhydrylpiperazin-1-yl)-N-(2-hydroxy-5-methylphenyl)acetamide

C26H29N3O2 — CID 10432016

IUPAC2-(4-benzhydrylpiperazin-1-yl)-N-(2-hydroxy-5-methylphenyl)acetamide
SMILESCc1ccc(O)c(NC(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1
InChIInChI=1S/C26H29N3O2/c1-20-12-13-24(30)23(18-20)27-25(31)19-28-14-16-29(17-15-28)26(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-13,18,26,30H,14-17,19H2,1H3,(H,27,31)
InChIKeyBLUBYLYKFBNFLZ-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.05
Rot. Bonds6

About 2-(4-benzhydrylpiperazin-1-yl)-N-(2-hydroxy-5-methylphenyl)acetamide

2-(4-benzhydrylpiperazin-1-yl)-N-(2-hydroxy-5-methylphenyl)acetamide (PubChem CID 10432016) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 2-(4-benzhydrylpiperazin-1-yl)-N-(2-hydroxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-benzhydrylpiperazin-1-yl)-N-(2-hydroxy-5-methylphenyl)acetamide
PubChem CID10432016
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC Name2-(4-benzhydrylpiperazin-1-yl)-N-(2-hydroxy-5-methylphenyl)acetamide
SMILESCc1ccc(O)c(NC(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1
InChIInChI=1S/C26H29N3O2/c1-20-12-13-24(30)23(18-20)27-25(31)19-28-14-16-29(17-15-28)26(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-13,18,26,30H,14-17,19H2,1H3,(H,27,31)
InChIKeyBLUBYLYKFBNFLZ-UHFFFAOYSA-N
XLogP4.05
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-(4-benzhydrylpiperazin-1-yl)-N-(2-hydroxy-5-methylphenyl)-2-oxoacetamide
CID 108504732
2-(4-benzhydrylpiperazin-1-yl)-N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 3543779
(2S)-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2,5-dimethylphenyl)-2-phenylacetamide
CID 30102769
2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 15143638
2-(4-benzhydrylpiperazin-1-yl)-N-(2-cyanophenyl)acetamide
CID 2653850
2-(4-benzhydrylpiperazin-1-yl)-N-(4-bromo-2-fluorophenyl)acetamide
CID 4235260
2-(4-benzhydrylpiperazin-1-yl)-N-[(2R)-butan-2-yl]acetamide
CID 8902107
N-(4-methylphenyl)-2-[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazin-1-yl]acetamide
CID 30722668
2-(4-benzhydrylpiperazin-1-yl)-N-(methylcarbamoyl)acetamide
CID 31338650
2-(4-benzhydrylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 24823686
2-[4,7-bis(carboxymethyl)-10-[2-(2,4-dimethylanilino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 58121003
N-(2-fluoro-5-methylphenyl)-4-[(R)-(4-methylphenyl)-phenylmethyl]piperazine-1-carboxamide
CID 92768345

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-N-(2-hydroxy-5-methylphenyl)acetamide?
The IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-N-(2-hydroxy-5-methylphenyl)acetamide (CID 10432016) is 2-(4-benzhydrylpiperazin-1-yl)-N-(2-hydroxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-benzhydrylpiperazin-1-yl)-N-(2-hydroxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-(4-benzhydrylpiperazin-1-yl)-N-(2-hydroxy-5-methylphenyl)acetamide is Cc1ccc(O)c(NC(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1.
What is the InChIKey of 2-(4-benzhydrylpiperazin-1-yl)-N-(2-hydroxy-5-methylphenyl)acetamide?
The InChIKey is BLUBYLYKFBNFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-20-12-13-24(30)23(18-20)27-25(31)19-28-14-16-29(17-15-28)26(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-13,18,26,30H,14-17,19H2,1H3,(H,27,31).
What are the key properties of 2-(4-benzhydrylpiperazin-1-yl)-N-(2-hydroxy-5-methylphenyl)acetamide?
2-(4-benzhydrylpiperazin-1-yl)-N-(2-hydroxy-5-methylphenyl)acetamide has a molecular weight of 415.54 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzhydrylpiperazin-1-yl)-N-(2-hydroxy-5-methylphenyl)acetamide is sourced from PubChem (CID 10432016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).