3,3-diethyl-5-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one

C21H33N3O — CID 146252594

IUPAC3,3-diethyl-5-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one
SMILESCCC1(CC)CC(CCN2CCN(c3ccccc3C)CC2)NC1=O
InChIInChI=1S/C21H33N3O/c1-4-21(5-2)16-18(22-20(21)25)10-11-23-12-14-24(15-13-23)19-9-7-6-8-17(19)3/h6-9,18H,4-5,10-16H2,1-3H3,(H,22,25)
InChIKeyRKIUXHTUUVCWKZ-UHFFFAOYSA-N
MW343.51 g/mol
LogP3.20
Rot. Bonds6

About 3,3-diethyl-5-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one

3,3-diethyl-5-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one (PubChem CID 146252594) has the molecular formula C21H33N3O and a molecular weight of 343.51 g/mol. Its IUPAC name is 3,3-diethyl-5-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3,3-diethyl-5-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one
PubChem CID146252594
Molecular FormulaC21H33N3O
Molecular Weight343.51 g/mol
Exact Mass343.26
IUPAC Name3,3-diethyl-5-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one
SMILESCCC1(CC)CC(CCN2CCN(c3ccccc3C)CC2)NC1=O
InChIInChI=1S/C21H33N3O/c1-4-21(5-2)16-18(22-20(21)25)10-11-23-12-14-24(15-13-23)19-9-7-6-8-17(19)3/h6-9,18H,4-5,10-16H2,1-3H3,(H,22,25)
InChIKeyRKIUXHTUUVCWKZ-UHFFFAOYSA-N
XLogP3.20
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-5-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 3,3-diethyl-5-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one (CID 146252594) is 3,3-diethyl-5-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 3,3-diethyl-5-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 3,3-diethyl-5-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one is CCC1(CC)CC(CCN2CCN(c3ccccc3C)CC2)NC1=O.
What is the InChIKey of 3,3-diethyl-5-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one?
The InChIKey is RKIUXHTUUVCWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O/c1-4-21(5-2)16-18(22-20(21)25)10-11-23-12-14-24(15-13-23)19-9-7-6-8-17(19)3/h6-9,18H,4-5,10-16H2,1-3H3,(H,22,25).
What are the key properties of 3,3-diethyl-5-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one?
3,3-diethyl-5-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one has a molecular weight of 343.51 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-5-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 146252594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).