2-benzamido-N-[(2R)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide

C28H30N4O3 — CID 1149397

IUPAC2-benzamido-N-[(2R)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCN1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2NC(=O)c2ccccc2)CC1
InChIInChI=1S/C28H30N4O3/c1-31-16-18-32(19-17-31)28(35)25(20-21-10-4-2-5-11-21)30-27(34)23-14-8-9-15-24(23)29-26(33)22-12-6-3-7-13-22/h2-15,25H,16-20H2,1H3,(H,29,33)(H,30,34)/t25-/m1/s1
InChIKeyYTHMHYFKSWWZDM-RUZDIDTESA-N
MW470.57 g/mol
LogP3.05
Rot. Bonds7

About 2-benzamido-N-[(2R)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide

2-benzamido-N-[(2R)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide (PubChem CID 1149397) has the molecular formula C28H30N4O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is 2-benzamido-N-[(2R)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound Name2-benzamido-N-[(2R)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide
PubChem CID1149397
Molecular FormulaC28H30N4O3
Molecular Weight470.57 g/mol
Exact Mass470.23
IUPAC Name2-benzamido-N-[(2R)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCN1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2NC(=O)c2ccccc2)CC1
InChIInChI=1S/C28H30N4O3/c1-31-16-18-32(19-17-31)28(35)25(20-21-10-4-2-5-11-21)30-27(34)23-14-8-9-15-24(23)29-26(33)22-12-6-3-7-13-22/h2-15,25H,16-20H2,1H3,(H,29,33)(H,30,34)/t25-/m1/s1
InChIKeyYTHMHYFKSWWZDM-RUZDIDTESA-N
XLogP3.05
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(2-benzamidobenzoyl)amino]-3-phenylpropanoic acid
CID 1366278
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2-benzamido-N-[(2S)-1-phenylpropan-2-yl]benzamide
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2-benzamido-N-[(2S)-1-(2-bromoanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
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N-(1-oxo-3-phenyl-1-piperazin-1-ylpropan-2-yl)benzamide
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N-[1-[4-(2-methylsulfonylethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
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CID 1340046
[(2R)-3-[4-(benzylamino)phenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]carbamic acid
CID 174220120
N-[(2S)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 51730216
N-[1-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 55564516
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
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Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N-[(2R)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide?
The IUPAC name of 2-benzamido-N-[(2R)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide (CID 1149397) is 2-benzamido-N-[(2R)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for 2-benzamido-N-[(2R)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for 2-benzamido-N-[(2R)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide is CN1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2NC(=O)c2ccccc2)CC1.
What is the InChIKey of 2-benzamido-N-[(2R)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide?
The InChIKey is YTHMHYFKSWWZDM-RUZDIDTESA-N. The full InChI is InChI=1S/C28H30N4O3/c1-31-16-18-32(19-17-31)28(35)25(20-21-10-4-2-5-11-21)30-27(34)23-14-8-9-15-24(23)29-26(33)22-12-6-3-7-13-22/h2-15,25H,16-20H2,1H3,(H,29,33)(H,30,34)/t25-/m1/s1.
What are the key properties of 2-benzamido-N-[(2R)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide?
2-benzamido-N-[(2R)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide has a molecular weight of 470.57 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N-[(2R)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 1149397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).