N-benzyl-3-methyl-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]butanamide

C22H36N4O2 — CID 56588150

IUPACN-benzyl-3-methyl-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]butanamide
SMILESCC(C)C(C(=O)NCc1ccccc1)N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C22H36N4O2/c1-19(2)21(22(27)23-18-20-6-4-3-5-7-20)26-12-10-24(11-13-26)8-9-25-14-16-28-17-15-25/h3-7,19,21H,8-18H2,1-2H3,(H,23,27)
InChIKeyRAJNDVJDRAGKNS-UHFFFAOYSA-N
MW388.56 g/mol
LogP1.28
Rot. Bonds8

About N-benzyl-3-methyl-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]butanamide

N-benzyl-3-methyl-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]butanamide (PubChem CID 56588150) has the molecular formula C22H36N4O2 and a molecular weight of 388.56 g/mol. Its IUPAC name is N-benzyl-3-methyl-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]butanamide.

Molecular Properties

Compound NameN-benzyl-3-methyl-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]butanamide
PubChem CID56588150
Molecular FormulaC22H36N4O2
Molecular Weight388.56 g/mol
Exact Mass388.28
IUPAC NameN-benzyl-3-methyl-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]butanamide
SMILESCC(C)C(C(=O)NCc1ccccc1)N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C22H36N4O2/c1-19(2)21(22(27)23-18-20-6-4-3-5-7-20)26-12-10-24(11-13-26)8-9-25-14-16-28-17-15-25/h3-7,19,21H,8-18H2,1-2H3,(H,23,27)
InChIKeyRAJNDVJDRAGKNS-UHFFFAOYSA-N
XLogP1.28
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 110877703
2-benzylsulfanyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 86918572
4-[2-[4-(1-phenylpropan-2-yl)piperazin-1-yl]ethyl]morpholine
CID 123753899
(2S)-2-amino-N-(2-morpholin-4-ylethyl)-4-phenylbutanamide
CID 104983793
N-benzyl-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 30636979
(2S)-N-(benzylcarbamoyl)-2-(4-methylpiperazin-1-yl)propanamide
CID 9250096
4-(2-morpholin-4-ylethyl)-N-(1-phenylethyl)piperazine-1-carboxamide
CID 113105903
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenoxypropanamide
CID 75814355
2-(dimethylamino)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylacetamide
CID 51127553
(2R)-2-(dimethylamino)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylacetamide
CID 52522894
1-(2-methyl-1-phenylpropyl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 42934834
(2R)-N-(2-morpholin-4-ylethyl)-3-phenyl-2-pyrrol-1-ylpropanamide
CID 110205726

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-methyl-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]butanamide?
The IUPAC name of N-benzyl-3-methyl-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]butanamide (CID 56588150) is N-benzyl-3-methyl-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]butanamide.
What is the SMILES notation for N-benzyl-3-methyl-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]butanamide?
The canonical SMILES for N-benzyl-3-methyl-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]butanamide is CC(C)C(C(=O)NCc1ccccc1)N1CCN(CCN2CCOCC2)CC1.
What is the InChIKey of N-benzyl-3-methyl-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]butanamide?
The InChIKey is RAJNDVJDRAGKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O2/c1-19(2)21(22(27)23-18-20-6-4-3-5-7-20)26-12-10-24(11-13-26)8-9-25-14-16-28-17-15-25/h3-7,19,21H,8-18H2,1-2H3,(H,23,27).
What are the key properties of N-benzyl-3-methyl-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]butanamide?
N-benzyl-3-methyl-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]butanamide has a molecular weight of 388.56 g/mol, XLogP of 1.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-methyl-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]butanamide is sourced from PubChem (CID 56588150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).