(4R)-1-(4-bromophenyl)-4-[4-(2-pyridin-4-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one

C22H25BrN4O2 — CID 39034500

IUPAC(4R)-1-(4-bromophenyl)-4-[4-(2-pyridin-4-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C([C@@H]1CC(=O)N(c2ccc(Br)cc2)C1)N1CCN(CCc2ccncc2)CC1
InChIInChI=1S/C22H25BrN4O2/c23-19-1-3-20(4-2-19)27-16-18(15-21(27)28)22(29)26-13-11-25(12-14-26)10-7-17-5-8-24-9-6-17/h1-6,8-9,18H,7,10-16H2/t18-/m1/s1
InChIKeyDPBXXHAYZZZKQR-GOSISDBHSA-N
MW457.37 g/mol
LogP2.58
Rot. Bonds5

About (4R)-1-(4-bromophenyl)-4-[4-(2-pyridin-4-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one

(4R)-1-(4-bromophenyl)-4-[4-(2-pyridin-4-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 39034500) has the molecular formula C22H25BrN4O2 and a molecular weight of 457.37 g/mol. Its IUPAC name is (4R)-1-(4-bromophenyl)-4-[4-(2-pyridin-4-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(4-bromophenyl)-4-[4-(2-pyridin-4-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID39034500
Molecular FormulaC22H25BrN4O2
Molecular Weight457.37 g/mol
Exact Mass456.12
IUPAC Name(4R)-1-(4-bromophenyl)-4-[4-(2-pyridin-4-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C([C@@H]1CC(=O)N(c2ccc(Br)cc2)C1)N1CCN(CCc2ccncc2)CC1
InChIInChI=1S/C22H25BrN4O2/c23-19-1-3-20(4-2-19)27-16-18(15-21(27)28)22(29)26-13-11-25(12-14-26)10-7-17-5-8-24-9-6-17/h1-6,8-9,18H,7,10-16H2/t18-/m1/s1
InChIKeyDPBXXHAYZZZKQR-GOSISDBHSA-N
XLogP2.58
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.37
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-1-(4-bromophenyl)-4-[4-(2-pyridin-4-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one with MolForge

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Related Compounds

(4R)-1-(4-bromophenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 40979269
(4R)-1-methyl-4-[4-(2-phenylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 94092841
4-(4-benzylpiperazine-1-carbonyl)-1-(4-chlorophenyl)pyrrolidin-2-one
CID 17082154
4-(4-ethylpiperazine-1-carbonyl)-1-pyridin-3-ylpyrrolidin-2-one
CID 110684478
1-(4-bromo-3-methylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 113190401
(4R)-4-(4-benzylpiperazine-1-carbonyl)-1-(4-ethylphenyl)pyrrolidin-2-one
CID 9388978
1-(4-chlorophenyl)-4-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 90561640
5-oxo-1-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-3-carbonyl chloride
CID 50879693
N-[4-[4-(4-ethylpiperazine-1-carbonyl)-2-oxopyrrolidin-1-yl]phenyl]acetamide
CID 17120155
4-(piperazine-1-carbonyl)-1-(4-propylphenyl)pyrrolidin-2-one;hydrochloride
CID 119402263
1-(4-butylphenyl)-4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 55578705
4-(piperidine-1-carbonyl)-1-(4-piperidin-1-ylphenyl)pyrrolidin-2-one
CID 113189848

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(4-bromophenyl)-4-[4-(2-pyridin-4-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-(4-bromophenyl)-4-[4-(2-pyridin-4-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 39034500) is (4R)-1-(4-bromophenyl)-4-[4-(2-pyridin-4-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(4-bromophenyl)-4-[4-(2-pyridin-4-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(4-bromophenyl)-4-[4-(2-pyridin-4-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one is O=C([C@@H]1CC(=O)N(c2ccc(Br)cc2)C1)N1CCN(CCc2ccncc2)CC1.
What is the InChIKey of (4R)-1-(4-bromophenyl)-4-[4-(2-pyridin-4-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is DPBXXHAYZZZKQR-GOSISDBHSA-N. The full InChI is InChI=1S/C22H25BrN4O2/c23-19-1-3-20(4-2-19)27-16-18(15-21(27)28)22(29)26-13-11-25(12-14-26)10-7-17-5-8-24-9-6-17/h1-6,8-9,18H,7,10-16H2/t18-/m1/s1.
What are the key properties of (4R)-1-(4-bromophenyl)-4-[4-(2-pyridin-4-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one?
(4R)-1-(4-bromophenyl)-4-[4-(2-pyridin-4-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 457.37 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(4-bromophenyl)-4-[4-(2-pyridin-4-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 39034500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).