N-benzyl-2-[4-[2-(N-benzylanilino)-2-oxoethyl]piperazin-1-yl]acetamide

C28H32N4O2 — CID 24596417

IUPACN-benzyl-2-[4-[2-(N-benzylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(CC(=O)N(Cc2ccccc2)c2ccccc2)CC1)NCc1ccccc1
InChIInChI=1S/C28H32N4O2/c33-27(29-20-24-10-4-1-5-11-24)22-30-16-18-31(19-17-30)23-28(34)32(26-14-8-3-9-15-26)21-25-12-6-2-7-13-25/h1-15H,16-23H2,(H,29,33)
InChIKeyPPOXWNWWZGGHPZ-UHFFFAOYSA-N
MW456.59 g/mol
LogP3.15
Rot. Bonds9

About N-benzyl-2-[4-[2-(N-benzylanilino)-2-oxoethyl]piperazin-1-yl]acetamide

N-benzyl-2-[4-[2-(N-benzylanilino)-2-oxoethyl]piperazin-1-yl]acetamide (PubChem CID 24596417) has the molecular formula C28H32N4O2 and a molecular weight of 456.59 g/mol. Its IUPAC name is N-benzyl-2-[4-[2-(N-benzylanilino)-2-oxoethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-[2-(N-benzylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
PubChem CID24596417
Molecular FormulaC28H32N4O2
Molecular Weight456.59 g/mol
Exact Mass456.25
IUPAC NameN-benzyl-2-[4-[2-(N-benzylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(CC(=O)N(Cc2ccccc2)c2ccccc2)CC1)NCc1ccccc1
InChIInChI=1S/C28H32N4O2/c33-27(29-20-24-10-4-1-5-11-24)22-30-16-18-31(19-17-30)23-28(34)32(26-14-8-3-9-15-26)21-25-12-6-2-7-13-25/h1-15H,16-23H2,(H,29,33)
InChIKeyPPOXWNWWZGGHPZ-UHFFFAOYSA-N
XLogP3.15
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(N-benzylanilino)-2-oxoethyl]piperazin-1-yl]-N-butan-2-ylacetamide
CID 55566381
N-benzyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-phenylacetamide
CID 52659816
2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 30863248
2-[4-[2-[benzhydryl(methyl)amino]-2-oxoethyl]piperazin-1-yl]-N-benzylacetamide
CID 55494313
N-benzyl-N-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 57062888
4-[4-[2-(N-benzylanilino)-2-oxoethyl]piperazin-1-yl]benzoic acid
CID 20680479
N-benzyl-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 30636979
1-[2-(N-benzylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 24565100
N-benzyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 30636341
N-benzyl-2-[4,7-bis(2-hydroxypropyl)-1,4,7-triazonan-1-yl]acetamide
CID 163526789
N-benzyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-phenylacetamide
CID 111123187
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-benzylacetamide
CID 6467232

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-[2-(N-benzylanilino)-2-oxoethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-[2-(N-benzylanilino)-2-oxoethyl]piperazin-1-yl]acetamide (CID 24596417) is N-benzyl-2-[4-[2-(N-benzylanilino)-2-oxoethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-[2-(N-benzylanilino)-2-oxoethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-[2-(N-benzylanilino)-2-oxoethyl]piperazin-1-yl]acetamide is O=C(CN1CCN(CC(=O)N(Cc2ccccc2)c2ccccc2)CC1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[4-[2-(N-benzylanilino)-2-oxoethyl]piperazin-1-yl]acetamide?
The InChIKey is PPOXWNWWZGGHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O2/c33-27(29-20-24-10-4-1-5-11-24)22-30-16-18-31(19-17-30)23-28(34)32(26-14-8-3-9-15-26)21-25-12-6-2-7-13-25/h1-15H,16-23H2,(H,29,33).
What are the key properties of N-benzyl-2-[4-[2-(N-benzylanilino)-2-oxoethyl]piperazin-1-yl]acetamide?
N-benzyl-2-[4-[2-(N-benzylanilino)-2-oxoethyl]piperazin-1-yl]acetamide has a molecular weight of 456.59 g/mol, XLogP of 3.15, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-[2-(N-benzylanilino)-2-oxoethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 24596417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).