(4S)-1-(2-ethylphenyl)-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one

C24H29N3O2 — CID 9152431

IUPAC(4S)-1-(2-ethylphenyl)-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCCc1ccccc1N1C[C@@H](C(=O)N2CCN(c3ccccc3C)CC2)CC1=O
InChIInChI=1S/C24H29N3O2/c1-3-19-9-5-7-11-22(19)27-17-20(16-23(27)28)24(29)26-14-12-25(13-15-26)21-10-6-4-8-18(21)2/h4-11,20H,3,12-17H2,1-2H3/t20-/m0/s1
InChIKeyFIWUKEPNQFIFAT-FQEVSTJZSA-N
MW391.52 g/mol
LogP3.26
Rot. Bonds4

About (4S)-1-(2-ethylphenyl)-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one

(4S)-1-(2-ethylphenyl)-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 9152431) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is (4S)-1-(2-ethylphenyl)-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-(2-ethylphenyl)-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID9152431
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name(4S)-1-(2-ethylphenyl)-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCCc1ccccc1N1C[C@@H](C(=O)N2CCN(c3ccccc3C)CC2)CC1=O
InChIInChI=1S/C24H29N3O2/c1-3-19-9-5-7-11-22(19)27-17-20(16-23(27)28)24(29)26-14-12-25(13-15-26)21-10-6-4-8-18(21)2/h4-11,20H,3,12-17H2,1-2H3/t20-/m0/s1
InChIKeyFIWUKEPNQFIFAT-FQEVSTJZSA-N
XLogP3.26
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-(4-ethylpiperazine-1-carbonyl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 9351131
4-(4-ethylpiperazine-1-carbonyl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 17080756
1-[(3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylic acid
CID 94830827
(4S)-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 8548976
(4R)-1-(2-ethylphenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 9081525
(4R)-4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one
CID 9415361
1-(2-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 17080667
(4S)-1-(2-ethylphenyl)-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
CID 97310802
1-(2-ethylphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119562077
4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2,3-dimethylphenyl)pyrrolidin-2-one
CID 46557552
1-(2-ethylphenyl)-4-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 56544658
1-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251618

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(2-ethylphenyl)-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4S)-1-(2-ethylphenyl)-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 9152431) is (4S)-1-(2-ethylphenyl)-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-(2-ethylphenyl)-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-(2-ethylphenyl)-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one is CCc1ccccc1N1C[C@@H](C(=O)N2CCN(c3ccccc3C)CC2)CC1=O.
What is the InChIKey of (4S)-1-(2-ethylphenyl)-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is FIWUKEPNQFIFAT-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-3-19-9-5-7-11-22(19)27-17-20(16-23(27)28)24(29)26-14-12-25(13-15-26)21-10-6-4-8-18(21)2/h4-11,20H,3,12-17H2,1-2H3/t20-/m0/s1.
What are the key properties of (4S)-1-(2-ethylphenyl)-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
(4S)-1-(2-ethylphenyl)-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 391.52 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(2-ethylphenyl)-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 9152431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).