(3R)-3-(2-hydroxyethyl)-4-[4-(2-propan-2-ylphenyl)benzoyl]piperazin-2-one

C22H26N2O3 — CID 126437724

IUPAC(3R)-3-(2-hydroxyethyl)-4-[4-(2-propan-2-ylphenyl)benzoyl]piperazin-2-one
SMILESCC(C)c1ccccc1-c1ccc(C(=O)N2CCNC(=O)[C@H]2CCO)cc1
InChIInChI=1S/C22H26N2O3/c1-15(2)18-5-3-4-6-19(18)16-7-9-17(10-8-16)22(27)24-13-12-23-21(26)20(24)11-14-25/h3-10,15,20,25H,11-14H2,1-2H3,(H,23,26)/t20-/m1/s1
InChIKeyKUOAMIXCJFNSPJ-HXUWFJFHSA-N
MW366.46 g/mol
LogP2.80
Rot. Bonds5

About (3R)-3-(2-hydroxyethyl)-4-[4-(2-propan-2-ylphenyl)benzoyl]piperazin-2-one

(3R)-3-(2-hydroxyethyl)-4-[4-(2-propan-2-ylphenyl)benzoyl]piperazin-2-one (PubChem CID 126437724) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is (3R)-3-(2-hydroxyethyl)-4-[4-(2-propan-2-ylphenyl)benzoyl]piperazin-2-one.

Molecular Properties

Compound Name(3R)-3-(2-hydroxyethyl)-4-[4-(2-propan-2-ylphenyl)benzoyl]piperazin-2-one
PubChem CID126437724
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name(3R)-3-(2-hydroxyethyl)-4-[4-(2-propan-2-ylphenyl)benzoyl]piperazin-2-one
SMILESCC(C)c1ccccc1-c1ccc(C(=O)N2CCNC(=O)[C@H]2CCO)cc1
InChIInChI=1S/C22H26N2O3/c1-15(2)18-5-3-4-6-19(18)16-7-9-17(10-8-16)22(27)24-13-12-23-21(26)20(24)11-14-25/h3-10,15,20,25H,11-14H2,1-2H3,(H,23,26)/t20-/m1/s1
InChIKeyKUOAMIXCJFNSPJ-HXUWFJFHSA-N
XLogP2.80
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(1,5-dimethylpyrazol-4-yl)benzoyl]-3-(2-hydroxyethyl)piperazin-2-one
CID 122565613
(3R)-4-[3-(2-chlorophenyl)benzoyl]-3-(2-hydroxyethyl)piperazin-2-one
CID 125170757
(3S)-3-(2-hydroxyethyl)-4-[4-(2-methyl-6-propylpyrimidin-4-yl)benzoyl]piperazin-2-one
CID 125441883
(3S)-3-(2-hydroxyethyl)-4-(4-methoxy-3,5-dimethylbenzoyl)piperazin-2-one
CID 95200368
4-[3-[2-(2-hydroxyethyl)-3-oxopiperazine-1-carbonyl]phenyl]-3-methylbenzonitrile
CID 118770180
(3R)-4-(2-chloro-3-methylbenzoyl)-3-(2-hydroxyethyl)piperazin-2-one
CID 29256098
(3R)-3-methyl-4-(4-phenylbenzoyl)piperazin-2-one
CID 25283888
(3S)-3-benzyl-4-(4-hydroxybenzoyl)piperazin-2-one
CID 29028046
butyl 2-[(2S)-3-oxo-1-(4-phenylbenzoyl)piperazin-2-yl]acetate
CID 9298063
propan-2-yl 2-[3-oxo-1-[4-(2-phenoxyethoxy)benzoyl]piperazin-2-yl]acetate
CID 4952790
(3S)-4-(4-benzylbenzoyl)-3-methylpiperazin-2-one
CID 25283951
butyl 2-[3-oxo-1-(4-propan-2-ylbenzoyl)piperazin-2-yl]acetate
CID 17177448

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-hydroxyethyl)-4-[4-(2-propan-2-ylphenyl)benzoyl]piperazin-2-one?
The IUPAC name of (3R)-3-(2-hydroxyethyl)-4-[4-(2-propan-2-ylphenyl)benzoyl]piperazin-2-one (CID 126437724) is (3R)-3-(2-hydroxyethyl)-4-[4-(2-propan-2-ylphenyl)benzoyl]piperazin-2-one.
What is the SMILES notation for (3R)-3-(2-hydroxyethyl)-4-[4-(2-propan-2-ylphenyl)benzoyl]piperazin-2-one?
The canonical SMILES for (3R)-3-(2-hydroxyethyl)-4-[4-(2-propan-2-ylphenyl)benzoyl]piperazin-2-one is CC(C)c1ccccc1-c1ccc(C(=O)N2CCNC(=O)[C@H]2CCO)cc1.
What is the InChIKey of (3R)-3-(2-hydroxyethyl)-4-[4-(2-propan-2-ylphenyl)benzoyl]piperazin-2-one?
The InChIKey is KUOAMIXCJFNSPJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-15(2)18-5-3-4-6-19(18)16-7-9-17(10-8-16)22(27)24-13-12-23-21(26)20(24)11-14-25/h3-10,15,20,25H,11-14H2,1-2H3,(H,23,26)/t20-/m1/s1.
What are the key properties of (3R)-3-(2-hydroxyethyl)-4-[4-(2-propan-2-ylphenyl)benzoyl]piperazin-2-one?
(3R)-3-(2-hydroxyethyl)-4-[4-(2-propan-2-ylphenyl)benzoyl]piperazin-2-one has a molecular weight of 366.46 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-hydroxyethyl)-4-[4-(2-propan-2-ylphenyl)benzoyl]piperazin-2-one is sourced from PubChem (CID 126437724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).