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

C24H29N3O2 — CID 53181871

IUPAC4-[4-(2-methylphenyl)piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one
SMILESCc1ccccc1N1CCN(C(=O)C2CC(=O)N(CCc3ccccc3)C2)CC1
InChIInChI=1S/C24H29N3O2/c1-19-7-5-6-10-22(19)25-13-15-26(16-14-25)24(29)21-17-23(28)27(18-21)12-11-20-8-3-2-4-9-20/h2-10,21H,11-18H2,1H3
InChIKeyUPCSTYQRJVEYLH-UHFFFAOYSA-N
MW391.51 g/mol
LogP2.73
Rot. Bonds5

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

4-[4-(2-methylphenyl)piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one (PubChem CID 53181871) has the molecular formula C24H29N3O2 and a molecular weight of 391.51 g/mol. Its IUPAC name is 4-[4-(2-methylphenyl)piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(2-methylphenyl)piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one
PubChem CID53181871
Molecular FormulaC24H29N3O2
Molecular Weight391.51 g/mol
Exact Mass391.23
IUPAC Name4-[4-(2-methylphenyl)piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one
SMILESCc1ccccc1N1CCN(C(=O)C2CC(=O)N(CCc3ccccc3)C2)CC1
InChIInChI=1S/C24H29N3O2/c1-19-7-5-6-10-22(19)25-13-15-26(16-14-25)24(29)21-17-23(28)27(18-21)12-11-20-8-3-2-4-9-20/h2-10,21H,11-18H2,1H3
InChIKeyUPCSTYQRJVEYLH-UHFFFAOYSA-N
XLogP2.73
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-1-(2-methoxyethyl)-4-[4-(2-methylphenyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 96576029
1-(2-phenylethyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 51143749
4-(4-phenylpiperazine-1-carbonyl)-1-(3-phenylpropyl)pyrrolidin-2-one
CID 113185297
(4R)-4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 39911499
4-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 56544561
4-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 55918774
4-(4-benzylpiperidine-1-carbonyl)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-2-one
CID 15996954
(4R)-4-[4-[(2R)-oxolane-2-carbonyl]piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 51565884
N-(4-methylphenyl)-2-[4-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carbonyl]piperazin-1-yl]acetamide
CID 40987622
(4S)-1-(2-ethylphenyl)-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 9152431
(4R)-4-acetyl-1-(2-phenylethyl)pyrrolidin-2-one
CID 71239800
4-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-1-(2-phenylethyl)pyrrolidin-2-one
CID 43071881

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylphenyl)piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one?
The IUPAC name of 4-[4-(2-methylphenyl)piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one (CID 53181871) is 4-[4-(2-methylphenyl)piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[4-(2-methylphenyl)piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one?
The canonical SMILES for 4-[4-(2-methylphenyl)piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one is Cc1ccccc1N1CCN(C(=O)C2CC(=O)N(CCc3ccccc3)C2)CC1.
What is the InChIKey of 4-[4-(2-methylphenyl)piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one?
The InChIKey is UPCSTYQRJVEYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-19-7-5-6-10-22(19)25-13-15-26(16-14-25)24(29)21-17-23(28)27(18-21)12-11-20-8-3-2-4-9-20/h2-10,21H,11-18H2,1H3.
What are the key properties of 4-[4-(2-methylphenyl)piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one?
4-[4-(2-methylphenyl)piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one has a molecular weight of 391.51 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylphenyl)piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one is sourced from PubChem (CID 53181871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).