(4R)-4-(4-benzylpiperazine-1-carbonyl)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one

C23H26ClN3O2 — CID 25362673

IUPAC(4R)-4-(4-benzylpiperazine-1-carbonyl)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one
SMILESO=C1C[C@@H](C(=O)N2CCN(Cc3ccccc3)CC2)CN1Cc1ccccc1Cl
InChIInChI=1S/C23H26ClN3O2/c24-21-9-5-4-8-19(21)16-27-17-20(14-22(27)28)23(29)26-12-10-25(11-13-26)15-18-6-2-1-3-7-18/h1-9,20H,10-17H2/t20-/m1/s1
InChIKeyARXBJKFMDMVUSN-HXUWFJFHSA-N
MW411.93 g/mol
LogP3.03
Rot. Bonds5

About (4R)-4-(4-benzylpiperazine-1-carbonyl)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one

(4R)-4-(4-benzylpiperazine-1-carbonyl)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one (PubChem CID 25362673) has the molecular formula C23H26ClN3O2 and a molecular weight of 411.93 g/mol. Its IUPAC name is (4R)-4-(4-benzylpiperazine-1-carbonyl)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(4-benzylpiperazine-1-carbonyl)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one
PubChem CID25362673
Molecular FormulaC23H26ClN3O2
Molecular Weight411.93 g/mol
Exact Mass411.17
IUPAC Name(4R)-4-(4-benzylpiperazine-1-carbonyl)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one
SMILESO=C1C[C@@H](C(=O)N2CCN(Cc3ccccc3)CC2)CN1Cc1ccccc1Cl
InChIInChI=1S/C23H26ClN3O2/c24-21-9-5-4-8-19(21)16-27-17-20(14-22(27)28)23(29)26-12-10-25(11-13-26)15-18-6-2-1-3-7-18/h1-9,20H,10-17H2/t20-/m1/s1
InChIKeyARXBJKFMDMVUSN-HXUWFJFHSA-N
XLogP3.03
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.93
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-benzylpiperazine-1-carbonyl)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-one
CID 113183434
1-[(2-chlorophenyl)methyl]-4-(4-methylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 42653481
(4S)-1-[(2-chlorophenyl)methyl]-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 97311082
4-(4-acetyl-1,4-diazepane-1-carbonyl)-1-benzylpyrrolidin-2-one
CID 56807347
1-[(2-chlorophenyl)methyl]-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 113183633
(4R)-4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-benzylpyrrolidin-2-one
CID 27509800
1-benzyl-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 78858914
4-(4-benzylpiperazine-1-carbonyl)-1-(4-chlorophenyl)pyrrolidin-2-one
CID 17082154
(4S)-4-(4-benzyl-1,4-diazepane-1-carbonyl)-1-methylpyrrolidin-2-one
CID 94092803
phenyl 4-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxylate
CID 108568580
4-[4-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]sulfonylbenzonitrile
CID 22110183
(4R)-4-(4-benzylpiperazine-1-carbonyl)-1-(4-ethylphenyl)pyrrolidin-2-one
CID 9388978

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-benzylpiperazine-1-carbonyl)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-(4-benzylpiperazine-1-carbonyl)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one (CID 25362673) is (4R)-4-(4-benzylpiperazine-1-carbonyl)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-(4-benzylpiperazine-1-carbonyl)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-(4-benzylpiperazine-1-carbonyl)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one is O=C1C[C@@H](C(=O)N2CCN(Cc3ccccc3)CC2)CN1Cc1ccccc1Cl.
What is the InChIKey of (4R)-4-(4-benzylpiperazine-1-carbonyl)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one?
The InChIKey is ARXBJKFMDMVUSN-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H26ClN3O2/c24-21-9-5-4-8-19(21)16-27-17-20(14-22(27)28)23(29)26-12-10-25(11-13-26)15-18-6-2-1-3-7-18/h1-9,20H,10-17H2/t20-/m1/s1.
What are the key properties of (4R)-4-(4-benzylpiperazine-1-carbonyl)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one?
(4R)-4-(4-benzylpiperazine-1-carbonyl)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one has a molecular weight of 411.93 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-benzylpiperazine-1-carbonyl)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 25362673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).