4-[4-[2-hydroxy-5-(tetrazol-1-yl)benzoyl]-2-oxopiperazin-1-yl]benzonitrile

C19H15N7O3 — CID 70753051

IUPAC4-[4-[2-hydroxy-5-(tetrazol-1-yl)benzoyl]-2-oxopiperazin-1-yl]benzonitrile
SMILESN#Cc1ccc(N2CCN(C(=O)c3cc(-n4cnnn4)ccc3O)CC2=O)cc1
InChIInChI=1S/C19H15N7O3/c20-10-13-1-3-14(4-2-13)25-8-7-24(11-18(25)28)19(29)16-9-15(5-6-17(16)27)26-12-21-22-23-26/h1-6,9,12,27H,7-8,11H2
InChIKeyPFOIOEYSYNXHBY-UHFFFAOYSA-N
MW389.38 g/mol
LogP0.73
Rot. Bonds3

About 4-[4-[2-hydroxy-5-(tetrazol-1-yl)benzoyl]-2-oxopiperazin-1-yl]benzonitrile

4-[4-[2-hydroxy-5-(tetrazol-1-yl)benzoyl]-2-oxopiperazin-1-yl]benzonitrile (PubChem CID 70753051) has the molecular formula C19H15N7O3 and a molecular weight of 389.38 g/mol. Its IUPAC name is 4-[4-[2-hydroxy-5-(tetrazol-1-yl)benzoyl]-2-oxopiperazin-1-yl]benzonitrile.

Molecular Properties

Compound Name4-[4-[2-hydroxy-5-(tetrazol-1-yl)benzoyl]-2-oxopiperazin-1-yl]benzonitrile
PubChem CID70753051
Molecular FormulaC19H15N7O3
Molecular Weight389.38 g/mol
Exact Mass389.12
IUPAC Name4-[4-[2-hydroxy-5-(tetrazol-1-yl)benzoyl]-2-oxopiperazin-1-yl]benzonitrile
SMILESN#Cc1ccc(N2CCN(C(=O)c3cc(-n4cnnn4)ccc3O)CC2=O)cc1
InChIInChI=1S/C19H15N7O3/c20-10-13-1-3-14(4-2-13)25-8-7-24(11-18(25)28)19(29)16-9-15(5-6-17(16)27)26-12-21-22-23-26/h1-6,9,12,27H,7-8,11H2
InChIKeyPFOIOEYSYNXHBY-UHFFFAOYSA-N
XLogP0.73
TPSA128.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-hydroxy-5-(tetrazol-1-yl)benzoic acid
CID 3136529
4-[4-(2-ethylpyrimidine-5-carbonyl)-2-oxopiperazin-1-yl]benzonitrile
CID 70706711
[(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-[2-hydroxy-5-(tetrazol-1-yl)phenyl]methanone
CID 91797211
2-[3-[4-(4-cyanophenyl)-3-oxopiperazine-1-carbonyl]phenoxy]acetamide
CID 70786885
4-[4-(3-methoxyphenyl)-3-oxopiperazine-1-carbonyl]benzonitrile
CID 70735758
2-hydroxy-4-(tetrazol-1-yl)benzoic acid
CID 855909
4-[4-(tetrazol-1-yl)benzoyl]piperazin-2-one
CID 47111544
[3-(2-hydroxyethyl)-3-phenylpyrrolidin-1-yl]-[2-hydroxy-5-(tetrazol-1-yl)phenyl]methanone
CID 18465036
[2-chloro-5-(tetrazol-1-yl)phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 42534769
4-[2-[4-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]benzonitrile
CID 67518221
3-[2-oxo-4-(2-phenylbenzoyl)piperazin-1-yl]benzonitrile
CID 70754055
4-(3-hydroxy-2-methylbenzoyl)-1-(4-methylphenyl)piperazin-2-one
CID 70717876

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-hydroxy-5-(tetrazol-1-yl)benzoyl]-2-oxopiperazin-1-yl]benzonitrile?
The IUPAC name of 4-[4-[2-hydroxy-5-(tetrazol-1-yl)benzoyl]-2-oxopiperazin-1-yl]benzonitrile (CID 70753051) is 4-[4-[2-hydroxy-5-(tetrazol-1-yl)benzoyl]-2-oxopiperazin-1-yl]benzonitrile.
What is the SMILES notation for 4-[4-[2-hydroxy-5-(tetrazol-1-yl)benzoyl]-2-oxopiperazin-1-yl]benzonitrile?
The canonical SMILES for 4-[4-[2-hydroxy-5-(tetrazol-1-yl)benzoyl]-2-oxopiperazin-1-yl]benzonitrile is N#Cc1ccc(N2CCN(C(=O)c3cc(-n4cnnn4)ccc3O)CC2=O)cc1.
What is the InChIKey of 4-[4-[2-hydroxy-5-(tetrazol-1-yl)benzoyl]-2-oxopiperazin-1-yl]benzonitrile?
The InChIKey is PFOIOEYSYNXHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N7O3/c20-10-13-1-3-14(4-2-13)25-8-7-24(11-18(25)28)19(29)16-9-15(5-6-17(16)27)26-12-21-22-23-26/h1-6,9,12,27H,7-8,11H2.
What are the key properties of 4-[4-[2-hydroxy-5-(tetrazol-1-yl)benzoyl]-2-oxopiperazin-1-yl]benzonitrile?
4-[4-[2-hydroxy-5-(tetrazol-1-yl)benzoyl]-2-oxopiperazin-1-yl]benzonitrile has a molecular weight of 389.38 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-hydroxy-5-(tetrazol-1-yl)benzoyl]-2-oxopiperazin-1-yl]benzonitrile is sourced from PubChem (CID 70753051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).