1-[5-chloro-2-(tetrazol-1-yl)phenyl]-4-(1-phenylpropan-2-yl)piperazine-2,5-dione

C20H19ClN6O2 — CID 170057070

IUPAC1-[5-chloro-2-(tetrazol-1-yl)phenyl]-4-(1-phenylpropan-2-yl)piperazine-2,5-dione
SMILESCC(Cc1ccccc1)N1CC(=O)N(c2cc(Cl)ccc2-n2cnnn2)CC1=O
InChIInChI=1S/C20H19ClN6O2/c1-14(9-15-5-3-2-4-6-15)25-11-20(29)26(12-19(25)28)18-10-16(21)7-8-17(18)27-13-22-23-24-27/h2-8,10,13-14H,9,11-12H2,1H3
InChIKeyFSLRCEIYSMBNCL-UHFFFAOYSA-N
MW410.87 g/mol
LogP2.12
Rot. Bonds5

About 1-[5-chloro-2-(tetrazol-1-yl)phenyl]-4-(1-phenylpropan-2-yl)piperazine-2,5-dione

1-[5-chloro-2-(tetrazol-1-yl)phenyl]-4-(1-phenylpropan-2-yl)piperazine-2,5-dione (PubChem CID 170057070) has the molecular formula C20H19ClN6O2 and a molecular weight of 410.87 g/mol. Its IUPAC name is 1-[5-chloro-2-(tetrazol-1-yl)phenyl]-4-(1-phenylpropan-2-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-[5-chloro-2-(tetrazol-1-yl)phenyl]-4-(1-phenylpropan-2-yl)piperazine-2,5-dione
PubChem CID170057070
Molecular FormulaC20H19ClN6O2
Molecular Weight410.87 g/mol
Exact Mass410.13
IUPAC Name1-[5-chloro-2-(tetrazol-1-yl)phenyl]-4-(1-phenylpropan-2-yl)piperazine-2,5-dione
SMILESCC(Cc1ccccc1)N1CC(=O)N(c2cc(Cl)ccc2-n2cnnn2)CC1=O
InChIInChI=1S/C20H19ClN6O2/c1-14(9-15-5-3-2-4-6-15)25-11-20(29)26(12-19(25)28)18-10-16(21)7-8-17(18)27-13-22-23-24-27/h2-8,10,13-14H,9,11-12H2,1H3
InChIKeyFSLRCEIYSMBNCL-UHFFFAOYSA-N
XLogP2.12
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.87
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[5-chloro-2-(tetrazol-1-yl)phenyl]-4-(1-phenylpropan-2-yl)piperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-acetylphenyl)-2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,5-dioxopiperazin-1-yl]-3-phenylpropanamide
CID 169323951
2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,5-dioxopiperazin-1-yl]-3-phenyl-N-pyrazolo[1,5-a]pyridin-6-ylpropanamide
CID 169324043
N-[3-amino-4-(methyliminomethyl)phenyl]-2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,5-dioxopiperazin-1-yl]-3-phenylpropanamide
CID 170057215
2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,5-dioxopiperazin-1-yl]-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-phenylpropanamide
CID 169324067
(2S)-2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,3-dioxopiperazin-1-yl]-3-[4-(2-oxo-4-propan-2-ylpiperazin-1-yl)phenyl]propanoic acid
CID 156741990
3-chloro-5-[[(2S)-2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,3-dioxopiperazin-1-yl]-3-phenylpropyl]amino]-1H-indole-2-carboxylic acid
CID 175282503
2-[4-[2-(4-chlorotriazol-1-yl)-5-methylphenyl]-2,5-dioxopiperazin-1-yl]-3-phenylpropanoic acid
CID 169323963
(2S)-2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,3-dioxopiperazin-1-yl]-3-[4-[4-(4-methoxycyclohexyl)-2-oxopiperazin-1-yl]phenyl]propanoic acid
CID 164957598
2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,3-dioxopiperazin-1-yl]-N-(3-oxo-1,2-dihydroisoindol-5-yl)-3-phenylpropanamide
CID 175282071
5-chloro-N-[(2S)-4-phenylbutan-2-yl]-2-(tetrazol-1-yl)benzamide
CID 39894608
(3S)-N'-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-methyl-2-(2-phenylethyl)butanediamide
CID 153286727
tert-butyl 3-chloro-5-[[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,3-dioxopiperazin-1-yl]-3-phenylpropanoyl]amino]-1H-indole-2-carboxylate
CID 175282124

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(tetrazol-1-yl)phenyl]-4-(1-phenylpropan-2-yl)piperazine-2,5-dione?
The IUPAC name of 1-[5-chloro-2-(tetrazol-1-yl)phenyl]-4-(1-phenylpropan-2-yl)piperazine-2,5-dione (CID 170057070) is 1-[5-chloro-2-(tetrazol-1-yl)phenyl]-4-(1-phenylpropan-2-yl)piperazine-2,5-dione.
What is the SMILES notation for 1-[5-chloro-2-(tetrazol-1-yl)phenyl]-4-(1-phenylpropan-2-yl)piperazine-2,5-dione?
The canonical SMILES for 1-[5-chloro-2-(tetrazol-1-yl)phenyl]-4-(1-phenylpropan-2-yl)piperazine-2,5-dione is CC(Cc1ccccc1)N1CC(=O)N(c2cc(Cl)ccc2-n2cnnn2)CC1=O.
What is the InChIKey of 1-[5-chloro-2-(tetrazol-1-yl)phenyl]-4-(1-phenylpropan-2-yl)piperazine-2,5-dione?
The InChIKey is FSLRCEIYSMBNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN6O2/c1-14(9-15-5-3-2-4-6-15)25-11-20(29)26(12-19(25)28)18-10-16(21)7-8-17(18)27-13-22-23-24-27/h2-8,10,13-14H,9,11-12H2,1H3.
What are the key properties of 1-[5-chloro-2-(tetrazol-1-yl)phenyl]-4-(1-phenylpropan-2-yl)piperazine-2,5-dione?
1-[5-chloro-2-(tetrazol-1-yl)phenyl]-4-(1-phenylpropan-2-yl)piperazine-2,5-dione has a molecular weight of 410.87 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(tetrazol-1-yl)phenyl]-4-(1-phenylpropan-2-yl)piperazine-2,5-dione is sourced from PubChem (CID 170057070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).