1-(2-butan-2-ylphenyl)-5-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide

C27H33N3O3 — CID 55333082

IUPAC1-(2-butan-2-ylphenyl)-5-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
SMILESCCC(C)c1ccccc1N1CC(C(=O)Nc2ccccc2C(=O)N2CCCCC2)CC1=O
InChIInChI=1S/C27H33N3O3/c1-3-19(2)21-11-6-8-14-24(21)30-18-20(17-25(30)31)26(32)28-23-13-7-5-12-22(23)27(33)29-15-9-4-10-16-29/h5-8,11-14,19-20H,3-4,9-10,15-18H2,1-2H3,(H,28,32)
InChIKeyPYUDRFIEJOVTKL-UHFFFAOYSA-N
MW447.58 g/mol
LogP4.82
Rot. Bonds6

About 1-(2-butan-2-ylphenyl)-5-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide

1-(2-butan-2-ylphenyl)-5-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 55333082) has the molecular formula C27H33N3O3 and a molecular weight of 447.58 g/mol. Its IUPAC name is 1-(2-butan-2-ylphenyl)-5-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-butan-2-ylphenyl)-5-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID55333082
Molecular FormulaC27H33N3O3
Molecular Weight447.58 g/mol
Exact Mass447.25
IUPAC Name1-(2-butan-2-ylphenyl)-5-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
SMILESCCC(C)c1ccccc1N1CC(C(=O)Nc2ccccc2C(=O)N2CCCCC2)CC1=O
InChIInChI=1S/C27H33N3O3/c1-3-19(2)21-11-6-8-14-24(21)30-18-20(17-25(30)31)26(32)28-23-13-7-5-12-22(23)27(33)29-15-9-4-10-16-29/h5-8,11-14,19-20H,3-4,9-10,15-18H2,1-2H3,(H,28,32)
InChIKeyPYUDRFIEJOVTKL-UHFFFAOYSA-N
XLogP4.82
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8839338
1-(2-butan-2-ylphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55335340
(3R)-1-[2-[(2S)-butan-2-yl]phenyl]-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 7922406
S-[2-[[1-(2-butan-2-ylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56576735
(3S)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30244943
1-(2-butan-2-ylphenyl)-5-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 51181758
1-(2-butan-2-ylphenyl)-N-(2-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 42989600
N-(2-butan-2-ylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080589
(3S)-1-[2-[(2R)-butan-2-yl]phenyl]-N-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 27536786
N'-[1-(2-butan-2-ylphenyl)-5-oxopyrrolidine-3-carbonyl]-1H-pyrrole-2-carbohydrazide
CID 78814263
methyl 2-[[5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carbonyl]amino]benzoate
CID 113186640
1-(2-butan-2-ylphenyl)-N-(1-hydroxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 78856916

Frequently Asked Questions

What is the IUPAC name of 1-(2-butan-2-ylphenyl)-5-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-butan-2-ylphenyl)-5-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide (CID 55333082) is 1-(2-butan-2-ylphenyl)-5-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-butan-2-ylphenyl)-5-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-butan-2-ylphenyl)-5-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide is CCC(C)c1ccccc1N1CC(C(=O)Nc2ccccc2C(=O)N2CCCCC2)CC1=O.
What is the InChIKey of 1-(2-butan-2-ylphenyl)-5-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is PYUDRFIEJOVTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O3/c1-3-19(2)21-11-6-8-14-24(21)30-18-20(17-25(30)31)26(32)28-23-13-7-5-12-22(23)27(33)29-15-9-4-10-16-29/h5-8,11-14,19-20H,3-4,9-10,15-18H2,1-2H3,(H,28,32).
What are the key properties of 1-(2-butan-2-ylphenyl)-5-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide?
1-(2-butan-2-ylphenyl)-5-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 447.58 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butan-2-ylphenyl)-5-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 55333082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).