3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide

C25H32N4O2 — CID 8596314

IUPAC3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
SMILESCc1ccccc1CN1CCN(CCC(=O)Nc2ccc(N3CCCC3=O)cc2)CC1
InChIInChI=1S/C25H32N4O2/c1-20-5-2-3-6-21(20)19-28-17-15-27(16-18-28)14-12-24(30)26-22-8-10-23(11-9-22)29-13-4-7-25(29)31/h2-3,5-6,8-11H,4,7,12-19H2,1H3,(H,26,30)
InChIKeyIYGKTHCZFMULJX-UHFFFAOYSA-N
MW420.56 g/mol
LogP3.27
Rot. Bonds7

About 3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide

3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide (PubChem CID 8596314) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
PubChem CID8596314
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
SMILESCc1ccccc1CN1CCN(CCC(=O)Nc2ccc(N3CCCC3=O)cc2)CC1
InChIInChI=1S/C25H32N4O2/c1-20-5-2-3-6-21(20)19-28-17-15-27(16-18-28)14-12-24(30)26-22-8-10-23(11-9-22)29-13-4-7-25(29)31/h2-3,5-6,8-11H,4,7,12-19H2,1H3,(H,26,30)
InChIKeyIYGKTHCZFMULJX-UHFFFAOYSA-N
XLogP3.27
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-benzoylpiperazin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 8597236
methyl-[(2-methylphenyl)methyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium
CID 8791101
N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-(2-methylphenyl)propanamide
CID 110666880
2-(2-methoxyphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8716524
3-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 18072161
3-[benzyl(methyl)amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 17397146
3-(2,3-dichlorophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 38924388
2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-phenylphenyl)acetamide
CID 9206369
N-(5-methyl-1,2-oxazol-3-yl)-3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 30092641
2-naphthalen-1-yl-N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]acetamide
CID 8747408
3-methyl-2-nitro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 39902627
N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]benzamide
CID 8745955

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The IUPAC name of 3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide (CID 8596314) is 3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The canonical SMILES for 3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide is Cc1ccccc1CN1CCN(CCC(=O)Nc2ccc(N3CCCC3=O)cc2)CC1.
What is the InChIKey of 3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The InChIKey is IYGKTHCZFMULJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-20-5-2-3-6-21(20)19-28-17-15-27(16-18-28)14-12-24(30)26-22-8-10-23(11-9-22)29-13-4-7-25(29)31/h2-3,5-6,8-11H,4,7,12-19H2,1H3,(H,26,30).
What are the key properties of 3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide has a molecular weight of 420.56 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide is sourced from PubChem (CID 8596314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).