N-[1-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide

C23H28N4O3 — CID 55495610

IUPACN-[1-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1
InChIInChI=1S/C23H28N4O3/c1-18(25-22(29)20-10-6-3-7-11-20)23(30)27-14-12-26(13-15-27)17-21(28)24-16-19-8-4-2-5-9-19/h2-11,18H,12-17H2,1H3,(H,24,28)(H,25,29)
InChIKeyBLJLDASMQIHDAD-UHFFFAOYSA-N
MW408.50 g/mol
LogP1.27
Rot. Bonds7

About N-[1-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide

N-[1-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide (PubChem CID 55495610) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[1-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide
PubChem CID55495610
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC NameN-[1-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1
InChIInChI=1S/C23H28N4O3/c1-18(25-22(29)20-10-6-3-7-11-20)23(30)27-14-12-26(13-15-27)17-21(28)24-16-19-8-4-2-5-9-19/h2-11,18H,12-17H2,1H3,(H,24,28)(H,25,29)
InChIKeyBLJLDASMQIHDAD-UHFFFAOYSA-N
XLogP1.27
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 55495370
N-benzyl-2-[4-[2-(benzylcarbamoylamino)-3-methylbutanoyl]piperazin-1-yl]acetamide
CID 55543585
N-[2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-4-methylbenzamide
CID 18140475
2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-benzylacetamide
CID 119840188
N-[(2S)-1-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 30457115
N-benzyl-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 30636979
2-[4-(3-amino-2-methyl-3-phenylpropanoyl)piperazin-1-yl]-N-benzylacetamide;dihydrochloride
CID 119840173
N-benzyl-2-[4,7-bis(2-hydroxypropyl)-1,4,7-triazonan-1-yl]acetamide
CID 163526789
N-benzyl-2-[4-(1-oxo-1-phenylpropan-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 141035294
ethyl 4-[(2S)-2-benzamidopropanoyl]piperazine-1-carboxylate
CID 2667430
N-[(2S)-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 31279747
4-[2-(benzylamino)-2-oxoethyl]-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide
CID 55794432

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide?
The IUPAC name of N-[1-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide (CID 55495610) is N-[1-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for N-[1-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for N-[1-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide is CC(NC(=O)c1ccccc1)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1.
What is the InChIKey of N-[1-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide?
The InChIKey is BLJLDASMQIHDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-18(25-22(29)20-10-6-3-7-11-20)23(30)27-14-12-26(13-15-27)17-21(28)24-16-19-8-4-2-5-9-19/h2-11,18H,12-17H2,1H3,(H,24,28)(H,25,29).
What are the key properties of N-[1-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide?
N-[1-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide has a molecular weight of 408.50 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 55495610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).