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

C24H26ClN3O3 — CID 39911499

IUPAC(4R)-4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one
SMILESO=C1C[C@@H](C(=O)N2CCN(C(=O)c3ccccc3Cl)CC2)CN1CCc1ccccc1
InChIInChI=1S/C24H26ClN3O3/c25-21-9-5-4-8-20(21)24(31)27-14-12-26(13-15-27)23(30)19-16-22(29)28(17-19)11-10-18-6-2-1-3-7-18/h1-9,19H,10-17H2/t19-/m1/s1
InChIKeyMLUSKKPHYPJWNG-LJQANCHMSA-N
MW439.94 g/mol
LogP2.72
Rot. Bonds5

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

(4R)-4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one (PubChem CID 39911499) has the molecular formula C24H26ClN3O3 and a molecular weight of 439.94 g/mol. Its IUPAC name is (4R)-4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one
PubChem CID39911499
Molecular FormulaC24H26ClN3O3
Molecular Weight439.94 g/mol
Exact Mass439.17
IUPAC Name(4R)-4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one
SMILESO=C1C[C@@H](C(=O)N2CCN(C(=O)c3ccccc3Cl)CC2)CN1CCc1ccccc1
InChIInChI=1S/C24H26ClN3O3/c25-21-9-5-4-8-20(21)24(31)27-14-12-26(13-15-27)23(30)19-16-22(29)28(17-19)11-10-18-6-2-1-3-7-18/h1-9,19H,10-17H2/t19-/m1/s1
InChIKeyMLUSKKPHYPJWNG-LJQANCHMSA-N
XLogP2.72
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.94
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(2-methylphenyl)piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 53181871
(4R)-4-[4-[(2R)-oxolane-2-carbonyl]piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 51565884
1-benzyl-4-[4-(2-sulfanylbenzoyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 108546297
1-(2-phenylethyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 51143749
4-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 56544561
4-(4-phenylpiperazine-1-carbonyl)-1-(3-phenylpropyl)pyrrolidin-2-one
CID 113185297
1-(2-phenylethyl)-4-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 51262946
N-cyclopropyl-2-[4-[5-oxo-1-(2-phenylethyl)pyrrolidine-3-carbonyl]piperazin-1-yl]acetamide
CID 78810208
1-(2-phenylethyl)-4-[4-(2,3,4-trifluorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 55344220
4-(4-benzoylpiperazine-1-carbonyl)-1-propylpyrrolidin-2-one
CID 110346238
4-(4-benzylpiperidine-1-carbonyl)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-2-one
CID 15996954
(4R)-4-acetyl-1-(2-phenylethyl)pyrrolidin-2-one
CID 71239800

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one (CID 39911499) is (4R)-4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one is O=C1C[C@@H](C(=O)N2CCN(C(=O)c3ccccc3Cl)CC2)CN1CCc1ccccc1.
What is the InChIKey of (4R)-4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one?
The InChIKey is MLUSKKPHYPJWNG-LJQANCHMSA-N. The full InChI is InChI=1S/C24H26ClN3O3/c25-21-9-5-4-8-20(21)24(31)27-14-12-26(13-15-27)23(30)19-16-22(29)28(17-19)11-10-18-6-2-1-3-7-18/h1-9,19H,10-17H2/t19-/m1/s1.
What are the key properties of (4R)-4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one?
(4R)-4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one has a molecular weight of 439.94 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one is sourced from PubChem (CID 39911499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).