N-benzyl-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide

C22H28N4O3 — CID 29487815

IUPACN-benzyl-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
SMILESCOc1cccc(NC(=O)CN2CCN(CC(=O)NCc3ccccc3)CC2)c1
InChIInChI=1S/C22H28N4O3/c1-29-20-9-5-8-19(14-20)24-22(28)17-26-12-10-25(11-13-26)16-21(27)23-15-18-6-3-2-4-7-18/h2-9,14H,10-13,15-17H2,1H3,(H,23,27)(H,24,28)
InChIKeyGHAHBZFLCKKHBI-UHFFFAOYSA-N
MW396.49 g/mol
LogP1.57
Rot. Bonds8

About N-benzyl-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide

N-benzyl-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide (PubChem CID 29487815) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-benzyl-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
PubChem CID29487815
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC NameN-benzyl-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
SMILESCOc1cccc(NC(=O)CN2CCN(CC(=O)NCc3ccccc3)CC2)c1
InChIInChI=1S/C22H28N4O3/c1-29-20-9-5-8-19(14-20)24-22(28)17-26-12-10-25(11-13-26)16-21(27)23-15-18-6-3-2-4-7-18/h2-9,14H,10-13,15-17H2,1H3,(H,23,27)(H,24,28)
InChIKeyGHAHBZFLCKKHBI-UHFFFAOYSA-N
XLogP1.57
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 9433551
N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride
CID 2958479
2-(azocan-1-yl)-N-(3-methoxyphenyl)acetamide
CID 8583685
N-(4-fluorophenyl)-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 7336695
N-(3-methoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9257418
4-[2-(benzylamino)-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 30940293
N-(3-methoxyphenyl)-2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]acetamide
CID 127036821
N-(3-ethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 8592549
2-(4-aminopiperidin-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride
CID 119907160
N-(3-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 5014292
2-(4-fluoropiperidin-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 171701324
2-[4-[2-[(3-methoxyphenyl)methoxy]acetyl]piperazin-1-yl]-N-phenylacetamide
CID 46472029

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide (CID 29487815) is N-benzyl-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide is COc1cccc(NC(=O)CN2CCN(CC(=O)NCc3ccccc3)CC2)c1.
What is the InChIKey of N-benzyl-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide?
The InChIKey is GHAHBZFLCKKHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-29-20-9-5-8-19(14-20)24-22(28)17-26-12-10-25(11-13-26)16-21(27)23-15-18-6-3-2-4-7-18/h2-9,14H,10-13,15-17H2,1H3,(H,23,27)(H,24,28).
What are the key properties of N-benzyl-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide?
N-benzyl-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide has a molecular weight of 396.49 g/mol, XLogP of 1.57, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 29487815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).