1-(3-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one

C17H23N3O2 — CID 17120609

IUPAC1-(3-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCc1cccc(N2CC(C(=O)N3CCN(C)CC3)CC2=O)c1
InChIInChI=1S/C17H23N3O2/c1-13-4-3-5-15(10-13)20-12-14(11-16(20)21)17(22)19-8-6-18(2)7-9-19/h3-5,10,14H,6-9,11-12H2,1-2H3
InChIKeyYCCTWZZDWISHBY-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.12
Rot. Bonds2

About 1-(3-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one

1-(3-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 17120609) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-(3-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID17120609
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-(3-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCc1cccc(N2CC(C(=O)N3CCN(C)CC3)CC2=O)c1
InChIInChI=1S/C17H23N3O2/c1-13-4-3-5-15(10-13)20-12-14(11-16(20)21)17(22)19-8-6-18(2)7-9-19/h3-5,10,14H,6-9,11-12H2,1-2H3
InChIKeyYCCTWZZDWISHBY-UHFFFAOYSA-N
XLogP1.12
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 46587894
1-(3-fluorophenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 113190156
1-(3-bromophenyl)-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
CID 78851698
4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(3-methylphenyl)pyrrolidin-2-one
CID 17120613
4-[4-(3-methylphenyl)piperazine-1-carbonyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 46550511
1-(4-ethylphenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 43034872
1-(3-chlorophenyl)-4-[4-(3-methylbenzoyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 55575327
1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120547
1-(3-bromophenyl)-4-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 122336448
1-(3-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 113186011
1-(4-ethoxyphenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 24533480
(3R)-N-methyl-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 28892198

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(3-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 17120609) is 1-(3-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one is Cc1cccc(N2CC(C(=O)N3CCN(C)CC3)CC2=O)c1.
What is the InChIKey of 1-(3-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is YCCTWZZDWISHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-13-4-3-5-15(10-13)20-12-14(11-16(20)21)17(22)19-8-6-18(2)7-9-19/h3-5,10,14H,6-9,11-12H2,1-2H3.
What are the key properties of 1-(3-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one?
1-(3-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 301.39 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 17120609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).