5-(1-butyltetrazol-5-yl)-5-methyl-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one

C20H28N6O2 — CID 53300769

IUPAC5-(1-butyltetrazol-5-yl)-5-methyl-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one
SMILESCCCCn1nnnc1C1(C)CCC(=O)N1c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H28N6O2/c1-3-4-11-25-19(21-22-23-25)20(2)10-9-18(27)26(20)17-7-5-16(6-8-17)24-12-14-28-15-13-24/h5-8H,3-4,9-15H2,1-2H3
InChIKeyQASLLLIXIYNZQY-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.35
Rot. Bonds6

About 5-(1-butyltetrazol-5-yl)-5-methyl-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one

5-(1-butyltetrazol-5-yl)-5-methyl-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one (PubChem CID 53300769) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 5-(1-butyltetrazol-5-yl)-5-methyl-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(1-butyltetrazol-5-yl)-5-methyl-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one
PubChem CID53300769
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC Name5-(1-butyltetrazol-5-yl)-5-methyl-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one
SMILESCCCCn1nnnc1C1(C)CCC(=O)N1c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H28N6O2/c1-3-4-11-25-19(21-22-23-25)20(2)10-9-18(27)26(20)17-7-5-16(6-8-17)24-12-14-28-15-13-24/h5-8H,3-4,9-15H2,1-2H3
InChIKeyQASLLLIXIYNZQY-UHFFFAOYSA-N
XLogP2.35
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-{1-[1-(2-Methoxy-ethyl)-1H-tetrazol-5-yl]-3-methyl-butyl}-4-phenyl-piperazine
CID 3209250
4-[(1-{4-[4-(2-fluorophenyl)-1-piperazinyl]-4-oxobutyl}-1H-tetrazol-5-yl)methyl]morpholine
CID 24817149
5-[1-(2,6-Dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one
CID 53300747
5-(1-Benzyltetrazol-5-yl)-5-methyl-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one
CID 53300758
5-[1-(2,6-Dimethylphenyl)tetrazol-5-yl]-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one
CID 53300789
5-(1-Benzyltetrazol-5-yl)-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one
CID 53300800
4-morpholin-4-yl-N-propan-2-yl-N-[(1-propyltetrazol-5-yl)methyl]aniline
CID 72148772
5-[1-(2,6-Dimethylphenyl)tetrazol-5-yl]-1-(2-methoxyethyl)-5-methylpyrrolidin-2-one
CID 53300785
1-[1-[1-(2-Methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-4-phenylpiperazine
CID 44753124
N-[1-[2-(1-ethyltetrazol-5-yl)oxyethyl]-4-methylpiperidin-4-yl]-N-phenylpropanamide
CID 142067483
1-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-3-methylbutyl]-4-phenylpiperazine
CID 7388320
1-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-3-methylbutyl]-4-phenylpiperazine
CID 7388322

Frequently Asked Questions

What is the IUPAC name of 5-(1-butyltetrazol-5-yl)-5-methyl-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one?
The IUPAC name of 5-(1-butyltetrazol-5-yl)-5-methyl-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one (CID 53300769) is 5-(1-butyltetrazol-5-yl)-5-methyl-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 5-(1-butyltetrazol-5-yl)-5-methyl-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one?
The canonical SMILES for 5-(1-butyltetrazol-5-yl)-5-methyl-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one is CCCCn1nnnc1C1(C)CCC(=O)N1c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 5-(1-butyltetrazol-5-yl)-5-methyl-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one?
The InChIKey is QASLLLIXIYNZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-3-4-11-25-19(21-22-23-25)20(2)10-9-18(27)26(20)17-7-5-16(6-8-17)24-12-14-28-15-13-24/h5-8H,3-4,9-15H2,1-2H3.
What are the key properties of 5-(1-butyltetrazol-5-yl)-5-methyl-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one?
5-(1-butyltetrazol-5-yl)-5-methyl-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one has a molecular weight of 384.48 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-butyltetrazol-5-yl)-5-methyl-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 53300769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).