N-[1-(3-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide

C21H25N3O2 — CID 119576791

IUPACN-[1-(3-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCC1CN(C(=O)C(Cc2ccccc2)NC(=O)c2ccccc2)CCN1
InChIInChI=1S/C21H25N3O2/c1-16-15-24(13-12-22-16)21(26)19(14-17-8-4-2-5-9-17)23-20(25)18-10-6-3-7-11-18/h2-11,16,19,22H,12-15H2,1H3,(H,23,25)
InChIKeyTYFLTLBZHZMLKQ-UHFFFAOYSA-N
MW351.45 g/mol
LogP1.85
Rot. Bonds5

About N-[1-(3-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide

N-[1-(3-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide (PubChem CID 119576791) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[1-(3-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-(3-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide
PubChem CID119576791
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[1-(3-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCC1CN(C(=O)C(Cc2ccccc2)NC(=O)c2ccccc2)CCN1
InChIInChI=1S/C21H25N3O2/c1-16-15-24(13-12-22-16)21(26)19(14-17-8-4-2-5-9-17)23-20(25)18-10-6-3-7-11-18/h2-11,16,19,22H,12-15H2,1H3,(H,23,25)
InChIKeyTYFLTLBZHZMLKQ-UHFFFAOYSA-N
XLogP1.85
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[1-(3-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride
CID 119578681
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-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 119635458
N-[1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride
CID 119635457
N-[1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 166217047
N-[1-(3-methylpiperazin-1-yl)-1-oxopentan-2-yl]-2-phenylacetamide
CID 119577162
N-[1-[3-(methylamino)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride
CID 119488269
4-nitro-N-[(2S)-1-oxo-3-phenyl-1-piperazin-1-ylpropan-2-yl]benzamide
CID 11406430
1-(2-benzamido-3-phenylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 119256449
N-[1-[4-(2,4-dichlorobenzoyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 42707474
4-(2-benzamido-3-phenylpropanoyl)-N-butyl-2-methylpiperazine-1-carboxamide
CID 42707549

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide?
The IUPAC name of N-[1-(3-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide (CID 119576791) is N-[1-(3-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for N-[1-(3-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for N-[1-(3-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide is CC1CN(C(=O)C(Cc2ccccc2)NC(=O)c2ccccc2)CCN1.
What is the InChIKey of N-[1-(3-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide?
The InChIKey is TYFLTLBZHZMLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-16-15-24(13-12-22-16)21(26)19(14-17-8-4-2-5-9-17)23-20(25)18-10-6-3-7-11-18/h2-11,16,19,22H,12-15H2,1H3,(H,23,25).
What are the key properties of N-[1-(3-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide?
N-[1-(3-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide has a molecular weight of 351.45 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 119576791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).