N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenylpropanamide

C21H25N3O2 — CID 110371175

IUPACN-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H25N3O2/c25-20(12-11-18-7-3-1-4-8-18)22-17-21(26)24-15-13-23(14-16-24)19-9-5-2-6-10-19/h1-10H,11-17H2,(H,22,25)
InChIKeyUXEGPCHOERIWKF-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.08
Rot. Bonds6

About N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenylpropanamide

N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenylpropanamide (PubChem CID 110371175) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenylpropanamide
PubChem CID110371175
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H25N3O2/c25-20(12-11-18-7-3-1-4-8-18)22-17-21(26)24-15-13-23(14-16-24)19-9-5-2-6-10-19/h1-10H,11-17H2,(H,22,25)
InChIKeyUXEGPCHOERIWKF-UHFFFAOYSA-N
XLogP2.08
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-4-phenylbutanamide
CID 113097440
4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pentanamide
CID 51097137
N-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-3-phenylpropanamide
CID 110348001
N-[2-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-4-phenylbutanamide
CID 113097698
3-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 42224470
4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-N'-(3-phenylpropanoyl)butanehydrazide
CID 3622193
2-methyl-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-(3-phenylpropyl)guanidine
CID 111200102
2-methyl-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-(4-phenylbutan-2-yl)guanidine
CID 111172217
1,1-dimethyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]urea
CID 110371190
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 757895
1-benzyl-2-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]guanidine
CID 110953222
N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]-3-phenylpropanamide
CID 42767096

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenylpropanamide?
The IUPAC name of N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenylpropanamide (CID 110371175) is N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenylpropanamide is O=C(CCc1ccccc1)NCC(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenylpropanamide?
The InChIKey is UXEGPCHOERIWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c25-20(12-11-18-7-3-1-4-8-18)22-17-21(26)24-15-13-23(14-16-24)19-9-5-2-6-10-19/h1-10H,11-17H2,(H,22,25).
What are the key properties of N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenylpropanamide?
N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenylpropanamide has a molecular weight of 351.45 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 110371175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).