N-benzyl-2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]acetamide

C28H31N3O2 — CID 46700155

IUPACN-benzyl-2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1)NCc1ccccc1
InChIInChI=1S/C28H31N3O2/c32-27(29-21-23-10-4-1-5-11-23)22-30-16-18-31(19-17-30)28(33)20-26(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26H,16-22H2,(H,29,32)
InChIKeyXTNYWUPFYRVBMH-UHFFFAOYSA-N
MW441.58 g/mol
LogP3.67
Rot. Bonds8

About N-benzyl-2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]acetamide

N-benzyl-2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]acetamide (PubChem CID 46700155) has the molecular formula C28H31N3O2 and a molecular weight of 441.58 g/mol. Its IUPAC name is N-benzyl-2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]acetamide
PubChem CID46700155
Molecular FormulaC28H31N3O2
Molecular Weight441.58 g/mol
Exact Mass441.24
IUPAC NameN-benzyl-2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1)NCc1ccccc1
InChIInChI=1S/C28H31N3O2/c32-27(29-21-23-10-4-1-5-11-23)22-30-16-18-31(19-17-30)28(33)20-26(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26H,16-22H2,(H,29,32)
InChIKeyXTNYWUPFYRVBMH-UHFFFAOYSA-N
XLogP3.67
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 30636341
N-benzyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide
CID 51329271
N-benzyl-2-[4-[2-(4-bromophenyl)acetyl]piperazin-1-yl]acetamide
CID 34436116
N-[2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-4-methylbenzamide
CID 18140475
1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 35610560
N-benzyl-2-[4-[2-(1,2-diphenylethylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 24596362
2-[4-(7-aminoheptanoyl)piperazin-1-yl]-N-benzylacetamide
CID 119840154
2-[4-(3-amino-2-methyl-3-phenylpropanoyl)piperazin-1-yl]-N-benzylacetamide;dihydrochloride
CID 119840173
N-benzyl-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 30636979
2-[4-[2-[benzhydryl(methyl)amino]-2-oxoethyl]piperazin-1-yl]-N-benzylacetamide
CID 55494313
N-benzyl-2-[4,7-bis(2-hydroxypropyl)-1,4,7-triazonan-1-yl]acetamide
CID 163526789
2-[4-(3-amino-3-phenylpropanoyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride
CID 119952990

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]acetamide (CID 46700155) is N-benzyl-2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]acetamide?
The InChIKey is XTNYWUPFYRVBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O2/c32-27(29-21-23-10-4-1-5-11-23)22-30-16-18-31(19-17-30)28(33)20-26(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26H,16-22H2,(H,29,32).
What are the key properties of N-benzyl-2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]acetamide?
N-benzyl-2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]acetamide has a molecular weight of 441.58 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 46700155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).