4-[5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde

C19H25N3O3 — CID 113186532

IUPAC4-[5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde
SMILESCC(C)c1ccccc1N1CC(C(=O)N2CCN(C=O)CC2)CC1=O
InChIInChI=1S/C19H25N3O3/c1-14(2)16-5-3-4-6-17(16)22-12-15(11-18(22)24)19(25)21-9-7-20(13-23)8-10-21/h3-6,13-15H,7-12H2,1-2H3
InChIKeyVDFMGKAQFXROBF-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.46
Rot. Bonds4

About 4-[5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde

4-[5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde (PubChem CID 113186532) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-[5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde
PubChem CID113186532
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name4-[5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde
SMILESCC(C)c1ccccc1N1CC(C(=O)N2CCN(C=O)CC2)CC1=O
InChIInChI=1S/C19H25N3O3/c1-14(2)16-5-3-4-6-17(16)22-12-15(11-18(22)24)19(25)21-9-7-20(13-23)8-10-21/h3-6,13-15H,7-12H2,1-2H3
InChIKeyVDFMGKAQFXROBF-UHFFFAOYSA-N
XLogP1.46
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-benzoylpiperazine-1-carbonyl)-1-(2-butan-2-ylphenyl)pyrrolidin-2-one
CID 47004549
4-[1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carbaldehyde
CID 113188456
1-(2-chlorophenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 84504102
1-(2-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 17080667
4-[5-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde
CID 113190088
1-(2-butan-2-ylphenyl)-4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 111561327
4-[1-(3,4-dichlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carbaldehyde
CID 113190879
(4R)-1-[2-[(2R)-butan-2-yl]phenyl]-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 25344342
4-(morpholine-4-carbonyl)-1-(2-morpholin-4-ylphenyl)pyrrolidin-2-one
CID 113189973
1-(2-bromophenyl)-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
CID 78851699
(4S)-1-(2-ethylphenyl)-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
CID 97310802
(4S)-1-[2-[(2R)-butan-2-yl]phenyl]-4-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 30824632

Frequently Asked Questions

What is the IUPAC name of 4-[5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde (CID 113186532) is 4-[5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde is CC(C)c1ccccc1N1CC(C(=O)N2CCN(C=O)CC2)CC1=O.
What is the InChIKey of 4-[5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde?
The InChIKey is VDFMGKAQFXROBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-14(2)16-5-3-4-6-17(16)22-12-15(11-18(22)24)19(25)21-9-7-20(13-23)8-10-21/h3-6,13-15H,7-12H2,1-2H3.
What are the key properties of 4-[5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde?
4-[5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde has a molecular weight of 343.43 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 113186532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).