2-[4-[4-(5-phenyltetrazol-2-yl)pyrrolidine-2-carbonyl]piperazin-1-yl]benzonitrile

C23H24N8O — CID 66915931

IUPAC2-[4-[4-(5-phenyltetrazol-2-yl)pyrrolidine-2-carbonyl]piperazin-1-yl]benzonitrile
SMILESN#Cc1ccccc1N1CCN(C(=O)C2CC(n3nnc(-c4ccccc4)n3)CN2)CC1
InChIInChI=1S/C23H24N8O/c24-15-18-8-4-5-9-21(18)29-10-12-30(13-11-29)23(32)20-14-19(16-25-20)31-27-22(26-28-31)17-6-2-1-3-7-17/h1-9,19-20,25H,10-14,16H2
InChIKeyCFVJBJZLHKKDHZ-UHFFFAOYSA-N
MW428.50 g/mol
LogP1.46
Rot. Bonds4

About 2-[4-[4-(5-phenyltetrazol-2-yl)pyrrolidine-2-carbonyl]piperazin-1-yl]benzonitrile

2-[4-[4-(5-phenyltetrazol-2-yl)pyrrolidine-2-carbonyl]piperazin-1-yl]benzonitrile (PubChem CID 66915931) has the molecular formula C23H24N8O and a molecular weight of 428.50 g/mol. Its IUPAC name is 2-[4-[4-(5-phenyltetrazol-2-yl)pyrrolidine-2-carbonyl]piperazin-1-yl]benzonitrile.

Molecular Properties

Compound Name2-[4-[4-(5-phenyltetrazol-2-yl)pyrrolidine-2-carbonyl]piperazin-1-yl]benzonitrile
PubChem CID66915931
Molecular FormulaC23H24N8O
Molecular Weight428.50 g/mol
Exact Mass428.21
IUPAC Name2-[4-[4-(5-phenyltetrazol-2-yl)pyrrolidine-2-carbonyl]piperazin-1-yl]benzonitrile
SMILESN#Cc1ccccc1N1CCN(C(=O)C2CC(n3nnc(-c4ccccc4)n3)CN2)CC1
InChIInChI=1S/C23H24N8O/c24-15-18-8-4-5-9-21(18)29-10-12-30(13-11-29)23(32)20-14-19(16-25-20)31-27-22(26-28-31)17-6-2-1-3-7-17/h1-9,19-20,25H,10-14,16H2
InChIKeyCFVJBJZLHKKDHZ-UHFFFAOYSA-N
XLogP1.46
TPSA102.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-[(1S,2R)-2-phenylcyclopropanecarbonyl]-1,4-diazepan-1-yl]benzonitrile
CID 95142592
2-[4-[(1R,2S)-2-phenylcyclopropanecarbonyl]-1,4-diazepan-1-yl]benzonitrile
CID 95142598
2-(4-acetylpiperazin-1-yl)benzonitrile;ethane
CID 143432462
[(2R,4R)-4-hydroxypyrrolidin-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 125118026
2-[4-(4-fluorobenzoyl)piperazin-1-yl]benzonitrile
CID 113080805
2-[4-(3,4-dihydro-2H-chromene-4-carbonyl)piperazin-1-yl]benzonitrile
CID 122136948
4-(2-cyanophenyl)-N-cyclopropylpiperazine-1-carboxamide
CID 113080857
2-[4-(2-methylbenzoyl)piperazin-1-yl]benzonitrile
CID 113080800
6-[[2-carboxy-4-(5-phenyltetrazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
CID 22570650
2-[4-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]-1,4-diazepan-1-yl]benzonitrile
CID 95596053
2-[4-[(2S)-1-methylazepane-2-carbonyl]piperazin-1-yl]benzonitrile
CID 97203883
2-[4-[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]-1,4-diazepan-1-yl]benzonitrile
CID 94114980

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(5-phenyltetrazol-2-yl)pyrrolidine-2-carbonyl]piperazin-1-yl]benzonitrile?
The IUPAC name of 2-[4-[4-(5-phenyltetrazol-2-yl)pyrrolidine-2-carbonyl]piperazin-1-yl]benzonitrile (CID 66915931) is 2-[4-[4-(5-phenyltetrazol-2-yl)pyrrolidine-2-carbonyl]piperazin-1-yl]benzonitrile.
What is the SMILES notation for 2-[4-[4-(5-phenyltetrazol-2-yl)pyrrolidine-2-carbonyl]piperazin-1-yl]benzonitrile?
The canonical SMILES for 2-[4-[4-(5-phenyltetrazol-2-yl)pyrrolidine-2-carbonyl]piperazin-1-yl]benzonitrile is N#Cc1ccccc1N1CCN(C(=O)C2CC(n3nnc(-c4ccccc4)n3)CN2)CC1.
What is the InChIKey of 2-[4-[4-(5-phenyltetrazol-2-yl)pyrrolidine-2-carbonyl]piperazin-1-yl]benzonitrile?
The InChIKey is CFVJBJZLHKKDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O/c24-15-18-8-4-5-9-21(18)29-10-12-30(13-11-29)23(32)20-14-19(16-25-20)31-27-22(26-28-31)17-6-2-1-3-7-17/h1-9,19-20,25H,10-14,16H2.
What are the key properties of 2-[4-[4-(5-phenyltetrazol-2-yl)pyrrolidine-2-carbonyl]piperazin-1-yl]benzonitrile?
2-[4-[4-(5-phenyltetrazol-2-yl)pyrrolidine-2-carbonyl]piperazin-1-yl]benzonitrile has a molecular weight of 428.50 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(5-phenyltetrazol-2-yl)pyrrolidine-2-carbonyl]piperazin-1-yl]benzonitrile is sourced from PubChem (CID 66915931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).