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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Related Compounds

(5R)-3,3-diethyl-5-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one
CID 148615412
4-[4-[2-[(2S)-4,4-diethyl-5-oxopyrrolidin-2-yl]ethyl]piperazin-1-yl]benzonitrile
CID 146242772
3,3-diethyl-5-[2-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]oxolan-2-one
CID 122688805
(3R)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-8-ethyl-2,8-diazaspiro[4.5]decan-1-one
CID 167661946
8-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione
CID 11474152
2-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;hydrochloride
CID 52941716
3,3-dimethyl-4-[2-[4-(2-methylphenyl)piperazin-1-yl]acetyl]-1H-quinoxalin-2-one
CID 8725457
3-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one
CID 10664387
1-ethylsulfonyl-4-(2-methylphenyl)piperazine
CID 6468889
2-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;hydrochloride
CID 52941712
(5S)-3,3-diethyl-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]oxolan-2-one
CID 140837611
2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 3088677

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).