(5R)-4-(3-aminopropanoyl)-5-benzyl-1-(2-phenylphenyl)piperazin-2-one

C26H27N3O2 — CID 97154900

IUPAC(5R)-4-(3-aminopropanoyl)-5-benzyl-1-(2-phenylphenyl)piperazin-2-one
SMILESNCCC(=O)N1CC(=O)N(c2ccccc2-c2ccccc2)C[C@H]1Cc1ccccc1
InChIInChI=1S/C26H27N3O2/c27-16-15-25(30)28-19-26(31)29(18-22(28)17-20-9-3-1-4-10-20)24-14-8-7-13-23(24)21-11-5-2-6-12-21/h1-14,22H,15-19,27H2/t22-/m1/s1
InChIKeyNBFRKIGOPSXTCM-JOCHJYFZSA-N
MW413.52 g/mol
LogP3.49
Rot. Bonds6

About (5R)-4-(3-aminopropanoyl)-5-benzyl-1-(2-phenylphenyl)piperazin-2-one

(5R)-4-(3-aminopropanoyl)-5-benzyl-1-(2-phenylphenyl)piperazin-2-one (PubChem CID 97154900) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is (5R)-4-(3-aminopropanoyl)-5-benzyl-1-(2-phenylphenyl)piperazin-2-one.

Molecular Properties

Compound Name(5R)-4-(3-aminopropanoyl)-5-benzyl-1-(2-phenylphenyl)piperazin-2-one
PubChem CID97154900
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Name(5R)-4-(3-aminopropanoyl)-5-benzyl-1-(2-phenylphenyl)piperazin-2-one
SMILESNCCC(=O)N1CC(=O)N(c2ccccc2-c2ccccc2)C[C@H]1Cc1ccccc1
InChIInChI=1S/C26H27N3O2/c27-16-15-25(30)28-19-26(31)29(18-22(28)17-20-9-3-1-4-10-20)24-14-8-7-13-23(24)21-11-5-2-6-12-21/h1-14,22H,15-19,27H2/t22-/m1/s1
InChIKeyNBFRKIGOPSXTCM-JOCHJYFZSA-N
XLogP3.49
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-2-benzyl-5-oxo-4-(2-phenylphenyl)piperazin-1-yl]acetamide
CID 97147954
4-[2-methyl-5-oxo-4-(2-phenylphenyl)piperazin-1-yl]-4-oxobutanamide
CID 70709347
4-(2-aminoacetyl)-5-benzyl-1-(3-phenylphenyl)piperazin-2-one
CID 70738705
N-[3-[(2R)-2-benzyl-4-(2-methylphenyl)-5-oxopiperazin-1-yl]-3-oxopropyl]acetamide
CID 96572799
4-(3-aminopropanoyl)-5-butyl-1-(3-phenylphenyl)piperazin-2-one
CID 70748407
[2-[2-benzyl-4-(3-methoxyphenyl)-5-oxopiperazin-1-yl]-2-oxoethyl]urea
CID 70736446
1-(2-phenylphenyl)-4-(3-pyrrolidin-1-ylpropanoyl)piperazin-2-one
CID 70762121
5-benzyl-1-(4-methylphenyl)-4-(2-methylpropanoyl)piperazin-2-one
CID 70749410
5-benzyl-4-(cyclopropanecarbonyl)-1-(4-methylphenyl)piperazin-2-one
CID 70728334
2-(2-aminoethoxy)-1-(2-benzylpyrrolidin-1-yl)ethanone
CID 79473851
5-butyl-4-(3-hydroxypropanoyl)-1-(3-phenylphenyl)piperazin-2-one
CID 70785641
4-[(5S)-5-benzyl-4-(cyclopropanecarbonyl)-2-oxopiperazin-1-yl]benzonitrile
CID 96576886

Frequently Asked Questions

What is the IUPAC name of (5R)-4-(3-aminopropanoyl)-5-benzyl-1-(2-phenylphenyl)piperazin-2-one?
The IUPAC name of (5R)-4-(3-aminopropanoyl)-5-benzyl-1-(2-phenylphenyl)piperazin-2-one (CID 97154900) is (5R)-4-(3-aminopropanoyl)-5-benzyl-1-(2-phenylphenyl)piperazin-2-one.
What is the SMILES notation for (5R)-4-(3-aminopropanoyl)-5-benzyl-1-(2-phenylphenyl)piperazin-2-one?
The canonical SMILES for (5R)-4-(3-aminopropanoyl)-5-benzyl-1-(2-phenylphenyl)piperazin-2-one is NCCC(=O)N1CC(=O)N(c2ccccc2-c2ccccc2)C[C@H]1Cc1ccccc1.
What is the InChIKey of (5R)-4-(3-aminopropanoyl)-5-benzyl-1-(2-phenylphenyl)piperazin-2-one?
The InChIKey is NBFRKIGOPSXTCM-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H27N3O2/c27-16-15-25(30)28-19-26(31)29(18-22(28)17-20-9-3-1-4-10-20)24-14-8-7-13-23(24)21-11-5-2-6-12-21/h1-14,22H,15-19,27H2/t22-/m1/s1.
What are the key properties of (5R)-4-(3-aminopropanoyl)-5-benzyl-1-(2-phenylphenyl)piperazin-2-one?
(5R)-4-(3-aminopropanoyl)-5-benzyl-1-(2-phenylphenyl)piperazin-2-one has a molecular weight of 413.52 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-(3-aminopropanoyl)-5-benzyl-1-(2-phenylphenyl)piperazin-2-one is sourced from PubChem (CID 97154900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).