2-(4-benzylpiperazin-1-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide

C21H34N4O2 — CID 46491153

IUPAC2-(4-benzylpiperazin-1-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
SMILESCC(C)(CNC(=O)CN1CCN(Cc2ccccc2)CC1)N1CCOCC1
InChIInChI=1S/C21H34N4O2/c1-21(2,25-12-14-27-15-13-25)18-22-20(26)17-24-10-8-23(9-11-24)16-19-6-4-3-5-7-19/h3-7H,8-18H2,1-2H3,(H,22,26)
InChIKeyHAVKTFSHLIWINY-UHFFFAOYSA-N
MW374.53 g/mol
LogP1.03
Rot. Bonds7

About 2-(4-benzylpiperazin-1-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide

2-(4-benzylpiperazin-1-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide (PubChem CID 46491153) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
PubChem CID46491153
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
SMILESCC(C)(CNC(=O)CN1CCN(Cc2ccccc2)CC1)N1CCOCC1
InChIInChI=1S/C21H34N4O2/c1-21(2,25-12-14-27-15-13-25)18-22-20(26)17-24-10-8-23(9-11-24)16-19-6-4-3-5-7-19/h3-7H,8-18H2,1-2H3,(H,22,26)
InChIKeyHAVKTFSHLIWINY-UHFFFAOYSA-N
XLogP1.03
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylbutanamide
CID 110024325
1-[2-(4-benzylpiperazin-1-yl)ethyl]-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111315256
2-(benzylcarbamoylamino)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 30905093
N-(2-methyl-2-morpholin-4-ylpropyl)-2-(4-phenylphenyl)sulfanylacetamide
CID 60519343
N-(2-methyl-2-morpholin-4-ylpropyl)-2-piperazin-1-ylacetamide
CID 61250159
N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylbutanamide
CID 4801976
2-(2-chloroanilino)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 51252333
2-(4-benzylpiperazin-1-yl)-N-[2-(ethylamino)ethyl]acetamide
CID 119505382
3-[(2-methyl-2-morpholin-4-ylpropyl)amino]-3-oxopropanoic acid
CID 55049600
2-(4-benzylpiperazin-1-yl)-N-[2-(methylamino)ethyl]acetamide
CID 119500637
2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 60505527
N-(2-methyl-2-morpholin-4-ylpropyl)-2-(2-methylphenyl)sulfanylacetamide
CID 51163397

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide (CID 46491153) is 2-(4-benzylpiperazin-1-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide is CC(C)(CNC(=O)CN1CCN(Cc2ccccc2)CC1)N1CCOCC1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
The InChIKey is HAVKTFSHLIWINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-21(2,25-12-14-27-15-13-25)18-22-20(26)17-24-10-8-23(9-11-24)16-19-6-4-3-5-7-19/h3-7H,8-18H2,1-2H3,(H,22,26).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
2-(4-benzylpiperazin-1-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide has a molecular weight of 374.53 g/mol, XLogP of 1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 46491153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).