(4R)-1-[2-[(2R)-butan-2-yl]phenyl]-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one

C26H33N3O3 — CID 25344342

IUPAC(4R)-1-[2-[(2R)-butan-2-yl]phenyl]-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCC[C@@H](C)c1ccccc1N1C[C@H](C(=O)N2CCN(c3cccc(OC)c3)CC2)CC1=O
InChIInChI=1S/C26H33N3O3/c1-4-19(2)23-10-5-6-11-24(23)29-18-20(16-25(29)30)26(31)28-14-12-27(13-15-28)21-8-7-9-22(17-21)32-3/h5-11,17,19-20H,4,12-16,18H2,1-3H3/t19-,20-/m1/s1
InChIKeyBHYNISNZYVEFRQ-WOJBJXKFSA-N
MW435.57 g/mol
LogP3.91
Rot. Bonds6

About (4R)-1-[2-[(2R)-butan-2-yl]phenyl]-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one

(4R)-1-[2-[(2R)-butan-2-yl]phenyl]-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 25344342) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is (4R)-1-[2-[(2R)-butan-2-yl]phenyl]-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-[2-[(2R)-butan-2-yl]phenyl]-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID25344342
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC Name(4R)-1-[2-[(2R)-butan-2-yl]phenyl]-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCC[C@@H](C)c1ccccc1N1C[C@H](C(=O)N2CCN(c3cccc(OC)c3)CC2)CC1=O
InChIInChI=1S/C26H33N3O3/c1-4-19(2)23-10-5-6-11-24(23)29-18-20(16-25(29)30)26(31)28-14-12-27(13-15-28)21-8-7-9-22(17-21)32-3/h5-11,17,19-20H,4,12-16,18H2,1-3H3/t19-,20-/m1/s1
InChIKeyBHYNISNZYVEFRQ-WOJBJXKFSA-N
XLogP3.91
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-benzoylpiperazine-1-carbonyl)-1-(2-butan-2-ylphenyl)pyrrolidin-2-one
CID 47004549
(4S)-4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 8550212
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 24680226
1-(2-butan-2-ylphenyl)-4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 111561327
1-(2-butan-2-ylphenyl)-N-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55345584
(4R)-1-(2-methoxyphenyl)-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 8713514
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one
CID 17191849
N-[[1-[1-(2-butan-2-ylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]methyl]acetamide
CID 55745618
(3S)-N-[2-[(2S)-butan-2-yl]phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9376758
(3R)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 2442336
(4S)-1-[2-[(2R)-butan-2-yl]phenyl]-4-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 30824632
1-(1H-indazol-3-yl)-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 75465534

Frequently Asked Questions

What is the IUPAC name of (4R)-1-[2-[(2R)-butan-2-yl]phenyl]-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-[2-[(2R)-butan-2-yl]phenyl]-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 25344342) is (4R)-1-[2-[(2R)-butan-2-yl]phenyl]-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-[2-[(2R)-butan-2-yl]phenyl]-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-[2-[(2R)-butan-2-yl]phenyl]-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one is CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)N2CCN(c3cccc(OC)c3)CC2)CC1=O.
What is the InChIKey of (4R)-1-[2-[(2R)-butan-2-yl]phenyl]-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is BHYNISNZYVEFRQ-WOJBJXKFSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-4-19(2)23-10-5-6-11-24(23)29-18-20(16-25(29)30)26(31)28-14-12-27(13-15-28)21-8-7-9-22(17-21)32-3/h5-11,17,19-20H,4,12-16,18H2,1-3H3/t19-,20-/m1/s1.
What are the key properties of (4R)-1-[2-[(2R)-butan-2-yl]phenyl]-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
(4R)-1-[2-[(2R)-butan-2-yl]phenyl]-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 435.57 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-[2-[(2R)-butan-2-yl]phenyl]-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 25344342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).