2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]-N-phenylpropanamide

C28H31N3O2 — CID 91340917

IUPAC2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]-N-phenylpropanamide
SMILESCC(C(=O)Nc1ccccc1)N1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C28H31N3O2/c1-22(28(33)29-25-15-9-4-10-16-25)30-17-19-31(20-18-30)27(32)21-26(23-11-5-2-6-12-23)24-13-7-3-8-14-24/h2-16,22,26H,17-21H2,1H3,(H,29,33)
InChIKeyYNKRDVASFVXGQX-UHFFFAOYSA-N
MW441.58 g/mol
LogP4.38
Rot. Bonds7

About 2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]-N-phenylpropanamide

2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]-N-phenylpropanamide (PubChem CID 91340917) has the molecular formula C28H31N3O2 and a molecular weight of 441.58 g/mol. Its IUPAC name is 2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]-N-phenylpropanamide.

Molecular Properties

Compound Name2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]-N-phenylpropanamide
PubChem CID91340917
Molecular FormulaC28H31N3O2
Molecular Weight441.58 g/mol
Exact Mass441.24
IUPAC Name2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]-N-phenylpropanamide
SMILESCC(C(=O)Nc1ccccc1)N1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C28H31N3O2/c1-22(28(33)29-25-15-9-4-10-16-25)30-17-19-31(20-18-30)27(32)21-26(23-11-5-2-6-12-23)24-13-7-3-8-14-24/h2-16,22,26H,17-21H2,1H3,(H,29,33)
InChIKeyYNKRDVASFVXGQX-UHFFFAOYSA-N
XLogP4.38
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-phenylpropanamide
CID 30738137
N-phenyl-2-piperidin-1-ylpropanamide
CID 4788909
1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one;hydrochloride
CID 119057587
(2R)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenylpropanamide
CID 51894730
(2S)-N-(methylcarbamoyl)-2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-yl]propanamide
CID 52504142
2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 24664257
2-(4-benzoylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 18085911
N-(ethylcarbamoyl)-2-[4-(3-phenylbutanoyl)piperazin-1-yl]propanamide
CID 47073336
2-(4-hydroxy-4-methylpiperidin-1-yl)-N-phenylpropanamide
CID 80702099
N-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 18078446
(2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-phenylpropanamide
CID 8725198
(2S)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpropanamide
CID 40729619

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]-N-phenylpropanamide?
The IUPAC name of 2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]-N-phenylpropanamide (CID 91340917) is 2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]-N-phenylpropanamide.
What is the SMILES notation for 2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]-N-phenylpropanamide?
The canonical SMILES for 2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]-N-phenylpropanamide is CC(C(=O)Nc1ccccc1)N1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]-N-phenylpropanamide?
The InChIKey is YNKRDVASFVXGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O2/c1-22(28(33)29-25-15-9-4-10-16-25)30-17-19-31(20-18-30)27(32)21-26(23-11-5-2-6-12-23)24-13-7-3-8-14-24/h2-16,22,26H,17-21H2,1H3,(H,29,33).
What are the key properties of 2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]-N-phenylpropanamide?
2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]-N-phenylpropanamide has a molecular weight of 441.58 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]-N-phenylpropanamide is sourced from PubChem (CID 91340917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).