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

C16H23N3O3 — CID 51329271

IUPACN-benzyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide
SMILESCOCC(=O)N1CCN(CC(=O)NCc2ccccc2)CC1
InChIInChI=1S/C16H23N3O3/c1-22-13-16(21)19-9-7-18(8-10-19)12-15(20)17-11-14-5-3-2-4-6-14/h2-6H,7-13H2,1H3,(H,17,20)
InChIKeyBYEROYDIZKBNHT-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.09
Rot. Bonds6

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

N-benzyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide (PubChem CID 51329271) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-benzyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide
PubChem CID51329271
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-benzyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide
SMILESCOCC(=O)N1CCN(CC(=O)NCc2ccccc2)CC1
InChIInChI=1S/C16H23N3O3/c1-22-13-16(21)19-9-7-18(8-10-19)12-15(20)17-11-14-5-3-2-4-6-14/h2-6H,7-13H2,1H3,(H,17,20)
InChIKeyBYEROYDIZKBNHT-UHFFFAOYSA-N
XLogP0.09
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[4-[2-(2-ethylphenoxy)acetyl]piperazin-1-yl]acetamide
CID 55495246
N-benzyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 30636341
N-benzyl-2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]acetamide
CID 46700155
N-benzyl-2-[4-[2-(2,3,4,5,6-pentafluorophenoxy)acetyl]-1,4-diazepan-1-yl]acetamide
CID 3831716
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
2-[4-(7-aminoheptanoyl)piperazin-1-yl]-N-benzylacetamide
CID 119840154
4-[2-(benzylamino)-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 30940293
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
N-benzyl-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 30636979
N-benzyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide
CID 18140436

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide (CID 51329271) is N-benzyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide is COCC(=O)N1CCN(CC(=O)NCc2ccccc2)CC1.
What is the InChIKey of N-benzyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide?
The InChIKey is BYEROYDIZKBNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-22-13-16(21)19-9-7-18(8-10-19)12-15(20)17-11-14-5-3-2-4-6-14/h2-6H,7-13H2,1H3,(H,17,20).
What are the key properties of N-benzyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide?
N-benzyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide has a molecular weight of 305.38 g/mol, XLogP of 0.09, 6 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-methoxyacetyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 51329271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).