4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1-methylpyrrolidin-2-one

C18H27N3O — CID 155980992

IUPAC4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1-methylpyrrolidin-2-one
SMILESCc1cccc(N2CCN(CC3CC(=O)N(C)C3)CC2)c1C
InChIInChI=1S/C18H27N3O/c1-14-5-4-6-17(15(14)2)21-9-7-20(8-10-21)13-16-11-18(22)19(3)12-16/h4-6,16H,7-13H2,1-3H3
InChIKeyHSVZRWZTSRZWCU-UHFFFAOYSA-N
MW301.43 g/mol
LogP1.90
Rot. Bonds3

About 4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1-methylpyrrolidin-2-one

4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1-methylpyrrolidin-2-one (PubChem CID 155980992) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1-methylpyrrolidin-2-one
PubChem CID155980992
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1-methylpyrrolidin-2-one
SMILESCc1cccc(N2CCN(CC3CC(=O)N(C)C3)CC2)c1C
InChIInChI=1S/C18H27N3O/c1-14-5-4-6-17(15(14)2)21-9-7-20(8-10-21)13-16-11-18(22)19(3)12-16/h4-6,16H,7-13H2,1-3H3
InChIKeyHSVZRWZTSRZWCU-UHFFFAOYSA-N
XLogP1.90
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]thiane 1,1-dioxide
CID 155975423
1-(2,3-dimethylphenyl)-4-(piperidin-3-ylmethyl)piperazine
CID 43245867
1-(2-chloroethyl)-4-(2,3-dimethylphenyl)piperazine
CID 61286908
1-(2,3-dimethylphenyl)-4-[(4-methylpyrrolidin-3-yl)methyl]piperazine
CID 63715523
1-[2-(benzenesulfonyl)ethyl]-4-(2,3-dimethylphenyl)piperazine
CID 51170901
2-amino-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butanoic acid
CID 63028507
1-(2,3-dimethylphenyl)-4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine
CID 163344961
5-[4-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]phenyl]pyrrolidin-2-one
CID 15104503
6-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
CID 135319637
4-[[4-(2,3-dichlorophenyl)piperazin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 118772829
(2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-amine
CID 22689441
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(4-ethylpiperazin-1-yl)methanone
CID 108988492

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1-methylpyrrolidin-2-one?
The IUPAC name of 4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1-methylpyrrolidin-2-one (CID 155980992) is 4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1-methylpyrrolidin-2-one?
The canonical SMILES for 4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1-methylpyrrolidin-2-one is Cc1cccc(N2CCN(CC3CC(=O)N(C)C3)CC2)c1C.
What is the InChIKey of 4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1-methylpyrrolidin-2-one?
The InChIKey is HSVZRWZTSRZWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-14-5-4-6-17(15(14)2)21-9-7-20(8-10-21)13-16-11-18(22)19(3)12-16/h4-6,16H,7-13H2,1-3H3.
What are the key properties of 4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1-methylpyrrolidin-2-one?
4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1-methylpyrrolidin-2-one has a molecular weight of 301.43 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 155980992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).