(3R)-4-(3-methylbut-2-enyl)-3-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one

C22H32N4O2 — CID 42095648

IUPAC(3R)-4-(3-methylbut-2-enyl)-3-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one
SMILESCC(C)=CCN1CCNC(=O)[C@H]1CC(=O)N1CCN(c2ccccc2C)CC1
InChIInChI=1S/C22H32N4O2/c1-17(2)8-10-24-11-9-23-22(28)20(24)16-21(27)26-14-12-25(13-15-26)19-7-5-4-6-18(19)3/h4-8,20H,9-16H2,1-3H3,(H,23,28)/t20-/m1/s1
InChIKeyUDQPFVWYMUFABR-HXUWFJFHSA-N
MW384.52 g/mol
LogP1.80
Rot. Bonds5

About (3R)-4-(3-methylbut-2-enyl)-3-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one

(3R)-4-(3-methylbut-2-enyl)-3-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one (PubChem CID 42095648) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is (3R)-4-(3-methylbut-2-enyl)-3-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one.

Molecular Properties

Compound Name(3R)-4-(3-methylbut-2-enyl)-3-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one
PubChem CID42095648
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name(3R)-4-(3-methylbut-2-enyl)-3-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one
SMILESCC(C)=CCN1CCNC(=O)[C@H]1CC(=O)N1CCN(c2ccccc2C)CC1
InChIInChI=1S/C22H32N4O2/c1-17(2)8-10-24-11-9-23-22(28)20(24)16-21(27)26-14-12-25(13-15-26)19-7-5-4-6-18(19)3/h4-8,20H,9-16H2,1-3H3,(H,23,28)/t20-/m1/s1
InChIKeyUDQPFVWYMUFABR-HXUWFJFHSA-N
XLogP1.80
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3R)-4-(3-methylbut-2-enyl)-3-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-4-(3-methylbut-2-enyl)-3-[2-oxo-2-(3-oxo-4-phenylpiperazin-1-yl)ethyl]piperazin-2-one
CID 95709133
(3R)-3-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethyl]-4-[(2-methylphenyl)methyl]piperazin-2-one
CID 25277529
4-[(2-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
CID 45201951
(5S)-5-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidine-2,4-dione
CID 9225091
(3S)-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4-(2-methylbenzoyl)piperazin-2-one
CID 41281506
3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperazin-2-one
CID 45224864
3-[2-(azocan-1-yl)-2-oxoethyl]-4-benzylpiperazin-2-one
CID 46984429
2-chloro-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 4741212
4-benzyl-3-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one
CID 50968053
3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-4-propan-2-ylpiperazin-2-one
CID 45222635
(3S)-3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-4-(furan-3-ylmethyl)piperazin-2-one
CID 26407343
(3R)-3-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperazin-2-one
CID 42382054

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(3-methylbut-2-enyl)-3-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one?
The IUPAC name of (3R)-4-(3-methylbut-2-enyl)-3-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one (CID 42095648) is (3R)-4-(3-methylbut-2-enyl)-3-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one.
What is the SMILES notation for (3R)-4-(3-methylbut-2-enyl)-3-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one?
The canonical SMILES for (3R)-4-(3-methylbut-2-enyl)-3-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one is CC(C)=CCN1CCNC(=O)[C@H]1CC(=O)N1CCN(c2ccccc2C)CC1.
What is the InChIKey of (3R)-4-(3-methylbut-2-enyl)-3-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one?
The InChIKey is UDQPFVWYMUFABR-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-17(2)8-10-24-11-9-23-22(28)20(24)16-21(27)26-14-12-25(13-15-26)19-7-5-4-6-18(19)3/h4-8,20H,9-16H2,1-3H3,(H,23,28)/t20-/m1/s1.
What are the key properties of (3R)-4-(3-methylbut-2-enyl)-3-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one?
(3R)-4-(3-methylbut-2-enyl)-3-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one has a molecular weight of 384.52 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(3-methylbut-2-enyl)-3-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one is sourced from PubChem (CID 42095648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).