1-(2-butan-2-ylphenyl)-4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one

C23H29N3O2S — CID 56579575

IUPAC1-(2-butan-2-ylphenyl)-4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCCC(C)c1ccccc1N1CC(C(=O)N2CCCC(c3nccs3)C2)CC1=O
InChIInChI=1S/C23H29N3O2S/c1-3-16(2)19-8-4-5-9-20(19)26-15-18(13-21(26)27)23(28)25-11-6-7-17(14-25)22-24-10-12-29-22/h4-5,8-10,12,16-18H,3,6-7,11,13-15H2,1-2H3
InChIKeyVUSSWLLJMWFCCR-UHFFFAOYSA-N
MW411.57 g/mol
LogP4.42
Rot. Bonds5

About 1-(2-butan-2-ylphenyl)-4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one

1-(2-butan-2-ylphenyl)-4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 56579575) has the molecular formula C23H29N3O2S and a molecular weight of 411.57 g/mol. Its IUPAC name is 1-(2-butan-2-ylphenyl)-4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-butan-2-ylphenyl)-4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID56579575
Molecular FormulaC23H29N3O2S
Molecular Weight411.57 g/mol
Exact Mass411.20
IUPAC Name1-(2-butan-2-ylphenyl)-4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCCC(C)c1ccccc1N1CC(C(=O)N2CCCC(c3nccs3)C2)CC1=O
InChIInChI=1S/C23H29N3O2S/c1-3-16(2)19-8-4-5-9-20(19)26-15-18(13-21(26)27)23(28)25-11-6-7-17(14-25)22-24-10-12-29-22/h4-5,8-10,12,16-18H,3,6-7,11,13-15H2,1-2H3
InChIKeyVUSSWLLJMWFCCR-UHFFFAOYSA-N
XLogP4.42
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.57
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromophenyl)-4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 56532644
1-(2-butan-2-ylphenyl)-4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 111561327
4-(4-benzoylpiperazine-1-carbonyl)-1-(2-butan-2-ylphenyl)pyrrolidin-2-one
CID 47004549
(4S)-1-(2-methoxyethyl)-4-[(3S)-3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95178640
(3R)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 2442336
N-[[1-[1-(2-butan-2-ylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]methyl]acetamide
CID 55745618
(3S)-1-[2-[(2R)-butan-2-yl]phenyl]-N-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 27536786
1-(2-butan-2-ylphenyl)-5-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 51181758
(4R)-1-[2-[(2R)-butan-2-yl]phenyl]-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 25344342
1-(2-butan-2-ylphenyl)-N-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 78770732
(5S)-5-[(3R)-3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95762094
[(3R)-3,4-dihydro-2H-chromen-3-yl]-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95761165

Frequently Asked Questions

What is the IUPAC name of 1-(2-butan-2-ylphenyl)-4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(2-butan-2-ylphenyl)-4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one (CID 56579575) is 1-(2-butan-2-ylphenyl)-4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(2-butan-2-ylphenyl)-4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(2-butan-2-ylphenyl)-4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one is CCC(C)c1ccccc1N1CC(C(=O)N2CCCC(c3nccs3)C2)CC1=O.
What is the InChIKey of 1-(2-butan-2-ylphenyl)-4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is VUSSWLLJMWFCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2S/c1-3-16(2)19-8-4-5-9-20(19)26-15-18(13-21(26)27)23(28)25-11-6-7-17(14-25)22-24-10-12-29-22/h4-5,8-10,12,16-18H,3,6-7,11,13-15H2,1-2H3.
What are the key properties of 1-(2-butan-2-ylphenyl)-4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
1-(2-butan-2-ylphenyl)-4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 411.57 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butan-2-ylphenyl)-4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 56579575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).