1-(2-phenylphenyl)-4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one

C21H21N5O2 — CID 70720362

IUPAC1-(2-phenylphenyl)-4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one
SMILESO=C(CCn1cncn1)N1CCN(c2ccccc2-c2ccccc2)C(=O)C1
InChIInChI=1S/C21H21N5O2/c27-20(10-11-25-16-22-15-23-25)24-12-13-26(21(28)14-24)19-9-5-4-8-18(19)17-6-2-1-3-7-17/h1-9,15-16H,10-14H2
InChIKeyWZJCSILLNAUTDY-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.21
Rot. Bonds5

About 1-(2-phenylphenyl)-4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one

1-(2-phenylphenyl)-4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one (PubChem CID 70720362) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 1-(2-phenylphenyl)-4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one.

Molecular Properties

Compound Name1-(2-phenylphenyl)-4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one
PubChem CID70720362
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name1-(2-phenylphenyl)-4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one
SMILESO=C(CCn1cncn1)N1CCN(c2ccccc2-c2ccccc2)C(=O)C1
InChIInChI=1S/C21H21N5O2/c27-20(10-11-25-16-22-15-23-25)24-12-13-26(21(28)14-24)19-9-5-4-8-18(19)17-6-2-1-3-7-17/h1-9,15-16H,10-14H2
InChIKeyWZJCSILLNAUTDY-UHFFFAOYSA-N
XLogP2.21
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-phenylphenyl)-4-(3-pyrrolidin-1-ylpropanoyl)piperazin-2-one
CID 70762121
4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one
CID 60718090
1-(2-methoxyphenyl)-5-methyl-4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one
CID 70740670
1-phenyl-3-[4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-1-yl]piperidin-2-one
CID 75473662
1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 126771965
3-[4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-1-yl]propanoic acid
CID 43522089
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 110887265
4-[(2S)-2,6-diaminohexanoyl]-1-(2-phenylphenyl)piperazin-2-one
CID 119065860
1-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 70745575
1-(2-methylphenyl)-4-(2-phenylbenzoyl)piperazin-2-one
CID 70760494
N'-[2-(2-phenylphenoxy)acetyl]-3-(1,2,4-triazol-1-yl)propanehydrazide
CID 24624854
4-(1H-imidazol-5-ylmethyl)-1-(2-phenylphenyl)piperazin-2-one
CID 70752762

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylphenyl)-4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one?
The IUPAC name of 1-(2-phenylphenyl)-4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one (CID 70720362) is 1-(2-phenylphenyl)-4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one.
What is the SMILES notation for 1-(2-phenylphenyl)-4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one?
The canonical SMILES for 1-(2-phenylphenyl)-4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one is O=C(CCn1cncn1)N1CCN(c2ccccc2-c2ccccc2)C(=O)C1.
What is the InChIKey of 1-(2-phenylphenyl)-4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one?
The InChIKey is WZJCSILLNAUTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c27-20(10-11-25-16-22-15-23-25)24-12-13-26(21(28)14-24)19-9-5-4-8-18(19)17-6-2-1-3-7-17/h1-9,15-16H,10-14H2.
What are the key properties of 1-(2-phenylphenyl)-4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one?
1-(2-phenylphenyl)-4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one has a molecular weight of 375.43 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylphenyl)-4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one is sourced from PubChem (CID 70720362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).