(4R)-1-[(4-methylphenyl)methyl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one

C23H27N3O2 — CID 7892722

IUPAC(4R)-1-[(4-methylphenyl)methyl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCc1ccc(CN2C[C@H](C(=O)N3CCN(c4ccccc4)CC3)CC2=O)cc1
InChIInChI=1S/C23H27N3O2/c1-18-7-9-19(10-8-18)16-26-17-20(15-22(26)27)23(28)25-13-11-24(12-14-25)21-5-3-2-4-6-21/h2-10,20H,11-17H2,1H3/t20-/m1/s1
InChIKeyVBCGXFOCEIEGNK-HXUWFJFHSA-N
MW377.49 g/mol
LogP2.69
Rot. Bonds4

About (4R)-1-[(4-methylphenyl)methyl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one

(4R)-1-[(4-methylphenyl)methyl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 7892722) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is (4R)-1-[(4-methylphenyl)methyl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-[(4-methylphenyl)methyl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID7892722
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name(4R)-1-[(4-methylphenyl)methyl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCc1ccc(CN2C[C@H](C(=O)N3CCN(c4ccccc4)CC3)CC2=O)cc1
InChIInChI=1S/C23H27N3O2/c1-18-7-9-19(10-8-18)16-26-17-20(15-22(26)27)23(28)25-13-11-24(12-14-25)21-5-3-2-4-6-21/h2-10,20H,11-17H2,1H3/t20-/m1/s1
InChIKeyVBCGXFOCEIEGNK-HXUWFJFHSA-N
XLogP2.69
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 9145709
(4S)-4-(4-phenyl-1,4-diazepane-1-carbonyl)-1-(pyridin-4-ylmethyl)pyrrolidin-2-one
CID 97196301
(3S)-1-[(3R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylic acid
CID 124697232
(3R)-1-[(3R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylic acid
CID 124697224
4-(4-acetyl-1,4-diazepane-1-carbonyl)-1-benzylpyrrolidin-2-one
CID 56807347
4-(4-phenylpiperazine-1-carbonyl)-1-(3-phenylpropyl)pyrrolidin-2-one
CID 113185297
(4R)-4-[3-(hydroxymethyl)azetidine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 97352310
1-benzyl-4-[4-(3-methylbenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 108535494
tert-butyl 4-[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate
CID 29127771
1-benzyl-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119561502
(4R)-1-(furan-2-ylmethyl)-4-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 93017405
3-[(3S)-1-[(3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]propanoic acid
CID 124697164

Frequently Asked Questions

What is the IUPAC name of (4R)-1-[(4-methylphenyl)methyl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of (4R)-1-[(4-methylphenyl)methyl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 7892722) is (4R)-1-[(4-methylphenyl)methyl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-[(4-methylphenyl)methyl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-1-[(4-methylphenyl)methyl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one is Cc1ccc(CN2C[C@H](C(=O)N3CCN(c4ccccc4)CC3)CC2=O)cc1.
What is the InChIKey of (4R)-1-[(4-methylphenyl)methyl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is VBCGXFOCEIEGNK-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-18-7-9-19(10-8-18)16-26-17-20(15-22(26)27)23(28)25-13-11-24(12-14-25)21-5-3-2-4-6-21/h2-10,20H,11-17H2,1H3/t20-/m1/s1.
What are the key properties of (4R)-1-[(4-methylphenyl)methyl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one?
(4R)-1-[(4-methylphenyl)methyl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 377.49 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-[(4-methylphenyl)methyl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 7892722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).