2-[4-[2-[benzhydryl(methyl)amino]-2-oxoethyl]piperazin-1-yl]-N-benzylacetamide

C29H34N4O2 — CID 55494313

IUPAC2-[4-[2-[benzhydryl(methyl)amino]-2-oxoethyl]piperazin-1-yl]-N-benzylacetamide
SMILESCN(C(=O)CN1CCN(CC(=O)NCc2ccccc2)CC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H34N4O2/c1-31(29(25-13-7-3-8-14-25)26-15-9-4-10-16-26)28(35)23-33-19-17-32(18-20-33)22-27(34)30-21-24-11-5-2-6-12-24/h2-16,29H,17-23H2,1H3,(H,30,34)
InChIKeyPTQYVCBIYOIMJW-UHFFFAOYSA-N
MW470.62 g/mol
LogP3.17
Rot. Bonds9

About 2-[4-[2-[benzhydryl(methyl)amino]-2-oxoethyl]piperazin-1-yl]-N-benzylacetamide

2-[4-[2-[benzhydryl(methyl)amino]-2-oxoethyl]piperazin-1-yl]-N-benzylacetamide (PubChem CID 55494313) has the molecular formula C29H34N4O2 and a molecular weight of 470.62 g/mol. Its IUPAC name is 2-[4-[2-[benzhydryl(methyl)amino]-2-oxoethyl]piperazin-1-yl]-N-benzylacetamide.

Molecular Properties

Compound Name2-[4-[2-[benzhydryl(methyl)amino]-2-oxoethyl]piperazin-1-yl]-N-benzylacetamide
PubChem CID55494313
Molecular FormulaC29H34N4O2
Molecular Weight470.62 g/mol
Exact Mass470.27
IUPAC Name2-[4-[2-[benzhydryl(methyl)amino]-2-oxoethyl]piperazin-1-yl]-N-benzylacetamide
SMILESCN(C(=O)CN1CCN(CC(=O)NCc2ccccc2)CC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H34N4O2/c1-31(29(25-13-7-3-8-14-25)26-15-9-4-10-16-26)28(35)23-33-19-17-32(18-20-33)22-27(34)30-21-24-11-5-2-6-12-24/h2-16,29H,17-23H2,1H3,(H,30,34)
InChIKeyPTQYVCBIYOIMJW-UHFFFAOYSA-N
XLogP3.17
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.62
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 30636979
N-benzyl-2-[4-[2-(N-benzylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 24596417
N-benzyl-2-[4,7-bis(2-hydroxypropyl)-1,4,7-triazonan-1-yl]acetamide
CID 163526789
N-benzyl-2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]acetamide
CID 46700155
N-benzyl-2-[4-[2-(1,2-diphenylethylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 24596362
4-[2-(benzylamino)-2-oxoethyl]-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide
CID 55794432
2-[4-(3-amino-2-methyl-3-phenylpropanoyl)piperazin-1-yl]-N-benzylacetamide;dihydrochloride
CID 119840173
N-benzhydryl-2-(4-ethoxypiperidin-1-yl)-N-methylacetamide
CID 55988474
N-benzyl-2-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30636513
N-benzyl-2-[4-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30636504
2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 30863248
N-[(4-methylphenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 34943408

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[benzhydryl(methyl)amino]-2-oxoethyl]piperazin-1-yl]-N-benzylacetamide?
The IUPAC name of 2-[4-[2-[benzhydryl(methyl)amino]-2-oxoethyl]piperazin-1-yl]-N-benzylacetamide (CID 55494313) is 2-[4-[2-[benzhydryl(methyl)amino]-2-oxoethyl]piperazin-1-yl]-N-benzylacetamide.
What is the SMILES notation for 2-[4-[2-[benzhydryl(methyl)amino]-2-oxoethyl]piperazin-1-yl]-N-benzylacetamide?
The canonical SMILES for 2-[4-[2-[benzhydryl(methyl)amino]-2-oxoethyl]piperazin-1-yl]-N-benzylacetamide is CN(C(=O)CN1CCN(CC(=O)NCc2ccccc2)CC1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[4-[2-[benzhydryl(methyl)amino]-2-oxoethyl]piperazin-1-yl]-N-benzylacetamide?
The InChIKey is PTQYVCBIYOIMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O2/c1-31(29(25-13-7-3-8-14-25)26-15-9-4-10-16-26)28(35)23-33-19-17-32(18-20-33)22-27(34)30-21-24-11-5-2-6-12-24/h2-16,29H,17-23H2,1H3,(H,30,34).
What are the key properties of 2-[4-[2-[benzhydryl(methyl)amino]-2-oxoethyl]piperazin-1-yl]-N-benzylacetamide?
2-[4-[2-[benzhydryl(methyl)amino]-2-oxoethyl]piperazin-1-yl]-N-benzylacetamide has a molecular weight of 470.62 g/mol, XLogP of 3.17, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[benzhydryl(methyl)amino]-2-oxoethyl]piperazin-1-yl]-N-benzylacetamide is sourced from PubChem (CID 55494313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).