N-[1-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide

C30H33N3O3 — CID 55564516

IUPACN-[1-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCC(C)(C(=O)N1CCN(C(=O)C(Cc2ccccc2)NC(=O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C30H33N3O3/c1-30(2,25-16-10-5-11-17-25)29(36)33-20-18-32(19-21-33)28(35)26(22-23-12-6-3-7-13-23)31-27(34)24-14-8-4-9-15-24/h3-17,26H,18-22H2,1-2H3,(H,31,34)
InChIKeyMDPQCPUTAKXABW-UHFFFAOYSA-N
MW483.61 g/mol
LogP3.68
Rot. Bonds7

About N-[1-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide

N-[1-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide (PubChem CID 55564516) has the molecular formula C30H33N3O3 and a molecular weight of 483.61 g/mol. Its IUPAC name is N-[1-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
PubChem CID55564516
Molecular FormulaC30H33N3O3
Molecular Weight483.61 g/mol
Exact Mass483.25
IUPAC NameN-[1-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCC(C)(C(=O)N1CCN(C(=O)C(Cc2ccccc2)NC(=O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C30H33N3O3/c1-30(2,25-16-10-5-11-17-25)29(36)33-20-18-32(19-21-33)28(35)26(22-23-12-6-3-7-13-23)31-27(34)24-14-8-4-9-15-24/h3-17,26H,18-22H2,1-2H3,(H,31,34)
InChIKeyMDPQCPUTAKXABW-UHFFFAOYSA-N
XLogP3.68
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.61
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-oxo-3-phenyl-1-piperazin-1-ylpropan-2-yl)benzamide
CID 119400548
N-[(2S)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 51730216
N-[1-[4-(2-methylsulfonylethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 56572676
N-[1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 46524297
N-[1-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 46512979
4-chloro-N-[1-(4-ethylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 112759974
N-[1-(3-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 119576791
1-(2-benzamido-3-phenylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 119256449
tert-butyl N-[1-(4-acetylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 42897084
N-[1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 166217047
N-[(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 38574785
4-methoxy-N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)benzamide
CID 5021960

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide?
The IUPAC name of N-[1-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide (CID 55564516) is N-[1-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for N-[1-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for N-[1-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide is CC(C)(C(=O)N1CCN(C(=O)C(Cc2ccccc2)NC(=O)c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N-[1-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide?
The InChIKey is MDPQCPUTAKXABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O3/c1-30(2,25-16-10-5-11-17-25)29(36)33-20-18-32(19-21-33)28(35)26(22-23-12-6-3-7-13-23)31-27(34)24-14-8-4-9-15-24/h3-17,26H,18-22H2,1-2H3,(H,31,34).
What are the key properties of N-[1-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide?
N-[1-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide has a molecular weight of 483.61 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 55564516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).