(4R)-1-phenyl-4-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]pyrrolidin-2-one

C19H28N4O3S — CID 125173786

IUPAC(4R)-1-phenyl-4-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]pyrrolidin-2-one
SMILESO=C1C[C@H](CN2CCN(S(=O)(=O)N3CCCC3)CC2)CN1c1ccccc1
InChIInChI=1S/C19H28N4O3S/c24-19-14-17(16-23(19)18-6-2-1-3-7-18)15-20-10-12-22(13-11-20)27(25,26)21-8-4-5-9-21/h1-3,6-7,17H,4-5,8-16H2/t17-/m1/s1
InChIKeyCGQTVUFXTLJTGY-QGZVFWFLSA-N
MW392.53 g/mol
LogP1.00
Rot. Bonds5

About (4R)-1-phenyl-4-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]pyrrolidin-2-one

(4R)-1-phenyl-4-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]pyrrolidin-2-one (PubChem CID 125173786) has the molecular formula C19H28N4O3S and a molecular weight of 392.53 g/mol. Its IUPAC name is (4R)-1-phenyl-4-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-phenyl-4-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]pyrrolidin-2-one
PubChem CID125173786
Molecular FormulaC19H28N4O3S
Molecular Weight392.53 g/mol
Exact Mass392.19
IUPAC Name(4R)-1-phenyl-4-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]pyrrolidin-2-one
SMILESO=C1C[C@H](CN2CCN(S(=O)(=O)N3CCCC3)CC2)CN1c1ccccc1
InChIInChI=1S/C19H28N4O3S/c24-19-14-17(16-23(19)18-6-2-1-3-7-18)15-20-10-12-22(13-11-20)27(25,26)21-8-4-5-9-21/h1-3,6-7,17H,4-5,8-16H2/t17-/m1/s1
InChIKeyCGQTVUFXTLJTGY-QGZVFWFLSA-N
XLogP1.00
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-1-phenyl-4-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]pyrrolidin-2-one with MolForge

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Related Compounds

N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]piperidine-1-sulfonamide
CID 16919583
4-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1-phenylpyrrolidin-2-one
CID 118779442
(4S)-1-phenyl-4-[[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methyl]pyrrolidin-2-one
CID 125156467
4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]methyl]-1-phenylpyrrolidin-2-one
CID 118786117
4-(bromomethyl)-1-phenylpyrrolidin-2-one
CID 23591967
1-phenyl-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168672207
(4S)-4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1-phenylpyrrolidin-2-one
CID 125165477
(4S)-4-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-1-phenylpyrrolidin-2-one
CID 125156440
2-[4-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide
CID 125171216
N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40911700
4-[(7-chloro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methyl]-1-phenylpyrrolidin-2-one
CID 134701482
6-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136988396

Frequently Asked Questions

What is the IUPAC name of (4R)-1-phenyl-4-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-phenyl-4-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]pyrrolidin-2-one (CID 125173786) is (4R)-1-phenyl-4-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-phenyl-4-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-phenyl-4-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]pyrrolidin-2-one is O=C1C[C@H](CN2CCN(S(=O)(=O)N3CCCC3)CC2)CN1c1ccccc1.
What is the InChIKey of (4R)-1-phenyl-4-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]pyrrolidin-2-one?
The InChIKey is CGQTVUFXTLJTGY-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H28N4O3S/c24-19-14-17(16-23(19)18-6-2-1-3-7-18)15-20-10-12-22(13-11-20)27(25,26)21-8-4-5-9-21/h1-3,6-7,17H,4-5,8-16H2/t17-/m1/s1.
What are the key properties of (4R)-1-phenyl-4-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]pyrrolidin-2-one?
(4R)-1-phenyl-4-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]pyrrolidin-2-one has a molecular weight of 392.53 g/mol, XLogP of 1.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-phenyl-4-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 125173786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).