N-[1-(4-benzoylpiperazin-1-yl)ethyl]-2-(N-methylanilino)benzamide

C27H30N4O2 — CID 67184535

IUPACN-[1-(4-benzoylpiperazin-1-yl)ethyl]-2-(N-methylanilino)benzamide
SMILESCC(NC(=O)c1ccccc1N(C)c1ccccc1)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C27H30N4O2/c1-21(30-17-19-31(20-18-30)27(33)22-11-5-3-6-12-22)28-26(32)24-15-9-10-16-25(24)29(2)23-13-7-4-8-14-23/h3-16,21H,17-20H2,1-2H3,(H,28,32)
InChIKeyOROSOLYXELIFHG-UHFFFAOYSA-N
MW442.56 g/mol
LogP3.99
Rot. Bonds6

About N-[1-(4-benzoylpiperazin-1-yl)ethyl]-2-(N-methylanilino)benzamide

N-[1-(4-benzoylpiperazin-1-yl)ethyl]-2-(N-methylanilino)benzamide (PubChem CID 67184535) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-[1-(4-benzoylpiperazin-1-yl)ethyl]-2-(N-methylanilino)benzamide.

Molecular Properties

Compound NameN-[1-(4-benzoylpiperazin-1-yl)ethyl]-2-(N-methylanilino)benzamide
PubChem CID67184535
Molecular FormulaC27H30N4O2
Molecular Weight442.56 g/mol
Exact Mass442.24
IUPAC NameN-[1-(4-benzoylpiperazin-1-yl)ethyl]-2-(N-methylanilino)benzamide
SMILESCC(NC(=O)c1ccccc1N(C)c1ccccc1)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C27H30N4O2/c1-21(30-17-19-31(20-18-30)27(33)22-11-5-3-6-12-22)28-26(32)24-15-9-10-16-25(24)29(2)23-13-7-4-8-14-23/h3-16,21H,17-20H2,1-2H3,(H,28,32)
InChIKeyOROSOLYXELIFHG-UHFFFAOYSA-N
XLogP3.99
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(N-methylanilino)benzamide
CID 71894359
4-benzoyl-N,N-dimethylpiperazine-1-carboxamide
CID 1121209
2-(N-methylanilino)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 97008975
N-methoxy-2-(N-methylanilino)benzamide
CID 47216174
4-(4-phenylpiperazine-1-carbonyl)-N-propan-2-ylbenzamide
CID 109043114
N-[4-(4-benzoylpiperazin-1-yl)-4-oxobutan-2-yl]benzamide
CID 78804572
N-[2-(methylamino)propyl]-2-(N-methylanilino)benzamide
CID 120832793
[2-(N-methylanilino)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 55756639
2-(1H-indol-3-yl)-1-[4-[2-(N-methylanilino)benzoyl]piperazin-1-yl]ethanone
CID 55810442
2-(4-benzoylpiperazin-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 9223416
2-(4-benzoylpiperazin-1-yl)-N-(4-fluorophenyl)propanamide
CID 18082983
2-(4-benzoylpiperazin-1-yl)-N-(4-chlorophenyl)propanamide
CID 18082984

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-benzoylpiperazin-1-yl)ethyl]-2-(N-methylanilino)benzamide?
The IUPAC name of N-[1-(4-benzoylpiperazin-1-yl)ethyl]-2-(N-methylanilino)benzamide (CID 67184535) is N-[1-(4-benzoylpiperazin-1-yl)ethyl]-2-(N-methylanilino)benzamide.
What is the SMILES notation for N-[1-(4-benzoylpiperazin-1-yl)ethyl]-2-(N-methylanilino)benzamide?
The canonical SMILES for N-[1-(4-benzoylpiperazin-1-yl)ethyl]-2-(N-methylanilino)benzamide is CC(NC(=O)c1ccccc1N(C)c1ccccc1)N1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of N-[1-(4-benzoylpiperazin-1-yl)ethyl]-2-(N-methylanilino)benzamide?
The InChIKey is OROSOLYXELIFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2/c1-21(30-17-19-31(20-18-30)27(33)22-11-5-3-6-12-22)28-26(32)24-15-9-10-16-25(24)29(2)23-13-7-4-8-14-23/h3-16,21H,17-20H2,1-2H3,(H,28,32).
What are the key properties of N-[1-(4-benzoylpiperazin-1-yl)ethyl]-2-(N-methylanilino)benzamide?
N-[1-(4-benzoylpiperazin-1-yl)ethyl]-2-(N-methylanilino)benzamide has a molecular weight of 442.56 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-benzoylpiperazin-1-yl)ethyl]-2-(N-methylanilino)benzamide is sourced from PubChem (CID 67184535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).