1-[[4-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione

C23H23N7O3 — CID 55600868

IUPAC1-[[4-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione
SMILESO=C(c1ccc(CN2C(=O)CCC2=O)cc1)N1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C23H23N7O3/c31-20-10-11-21(32)29(20)16-17-6-8-18(9-7-17)22(33)27-12-14-28(15-13-27)23-24-25-26-30(23)19-4-2-1-3-5-19/h1-9H,10-16H2
InChIKeyQWYWYKYEHHBTQQ-UHFFFAOYSA-N
MW445.48 g/mol
LogP1.27
Rot. Bonds5

About 1-[[4-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione

1-[[4-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione (PubChem CID 55600868) has the molecular formula C23H23N7O3 and a molecular weight of 445.48 g/mol. Its IUPAC name is 1-[[4-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[[4-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione
PubChem CID55600868
Molecular FormulaC23H23N7O3
Molecular Weight445.48 g/mol
Exact Mass445.19
IUPAC Name1-[[4-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione
SMILESO=C(c1ccc(CN2C(=O)CCC2=O)cc1)N1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C23H23N7O3/c31-20-10-11-21(32)29(20)16-17-6-8-18(9-7-17)22(33)27-12-14-28(15-13-27)23-24-25-26-30(23)19-4-2-1-3-5-19/h1-9H,10-16H2
InChIKeyQWYWYKYEHHBTQQ-UHFFFAOYSA-N
XLogP1.27
TPSA104.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

[4-(difluoromethylsulfonyl)phenyl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 55601318
1-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione
CID 24540069
(2-bromophenyl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 2243329
[2-[(4-chlorophenyl)methoxy]phenyl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 46439133
(4-bromo-3,5-dimethoxyphenyl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 46600708
(3-methyl-1,2-oxazol-5-yl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 43073604
morpholin-4-yl-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 17493615
(5-chloro-6-propan-2-yloxy-3-pyridinyl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 55884459
1-[[4-(piperazine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione;hydrochloride
CID 119401688
1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-2-prop-2-enylsulfanylethanone
CID 51086980
(4-bromo-2-fluorophenyl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 55636432
10-[2-oxo-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethyl]acridin-9-one
CID 43073615

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[[4-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione (CID 55600868) is 1-[[4-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[[4-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[[4-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione is O=C(c1ccc(CN2C(=O)CCC2=O)cc1)N1CCN(c2nnnn2-c2ccccc2)CC1.
What is the InChIKey of 1-[[4-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione?
The InChIKey is QWYWYKYEHHBTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O3/c31-20-10-11-21(32)29(20)16-17-6-8-18(9-7-17)22(33)27-12-14-28(15-13-27)23-24-25-26-30(23)19-4-2-1-3-5-19/h1-9H,10-16H2.
What are the key properties of 1-[[4-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione?
1-[[4-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione has a molecular weight of 445.48 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 55600868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).