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

C21H33N3O — CID 148615412

IUPAC(5R)-3,3-diethyl-5-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one
SMILESCCC1(CC)C[C@H](CCN2CCN(c3cccc(C)c3)CC2)NC1=O
InChIInChI=1S/C21H33N3O/c1-4-21(5-2)16-18(22-20(21)25)9-10-23-11-13-24(14-12-23)19-8-6-7-17(3)15-19/h6-8,15,18H,4-5,9-14,16H2,1-3H3,(H,22,25)/t18-/m0/s1
InChIKeyNFEXOTMANIIYSU-SFHVURJKSA-N
MW343.51 g/mol
LogP3.20
Rot. Bonds6

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

(5R)-3,3-diethyl-5-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one (PubChem CID 148615412) has the molecular formula C21H33N3O and a molecular weight of 343.51 g/mol. Its IUPAC name is (5R)-3,3-diethyl-5-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-3,3-diethyl-5-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one
PubChem CID148615412
Molecular FormulaC21H33N3O
Molecular Weight343.51 g/mol
Exact Mass343.26
IUPAC Name(5R)-3,3-diethyl-5-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one
SMILESCCC1(CC)C[C@H](CCN2CCN(c3cccc(C)c3)CC2)NC1=O
InChIInChI=1S/C21H33N3O/c1-4-21(5-2)16-18(22-20(21)25)9-10-23-11-13-24(14-12-23)19-8-6-7-17(3)15-19/h6-8,15,18H,4-5,9-14,16H2,1-3H3,(H,22,25)/t18-/m0/s1
InChIKeyNFEXOTMANIIYSU-SFHVURJKSA-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

3,3-diethyl-5-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one
CID 146252594
4-[4-[2-[(2S)-4,4-diethyl-5-oxopyrrolidin-2-yl]ethyl]piperazin-1-yl]benzonitrile
CID 146242772
(3R)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-8-ethyl-2,8-diazaspiro[4.5]decan-1-one
CID 167661946
1-(2-cyclohexylethyl)-4-(3-methylphenyl)piperazine
CID 173113720
1-(3-methylphenyl)-4-propylpiperazine
CID 44570658
1-(3-methylphenyl)-4-(2-piperidin-4-ylethyl)piperazine;dihydrochloride
CID 120663604
1-(3-methylphenyl)-4-(3-pyrrolidin-2-ylpropyl)piperazine
CID 62479760
3-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid;dihydrochloride
CID 43810604
tert-butyl (3R)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 146252634
1-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclobutan-1-amine
CID 79844062
N-[(2S)-1-[(3R)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-oxopropan-2-yl]acetamide
CID 166569391
3-[4-(3-methylphenyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 119402779

Frequently Asked Questions

What is the IUPAC name of (5R)-3,3-diethyl-5-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of (5R)-3,3-diethyl-5-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one (CID 148615412) is (5R)-3,3-diethyl-5-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-3,3-diethyl-5-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-3,3-diethyl-5-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one is CCC1(CC)C[C@H](CCN2CCN(c3cccc(C)c3)CC2)NC1=O.
What is the InChIKey of (5R)-3,3-diethyl-5-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one?
The InChIKey is NFEXOTMANIIYSU-SFHVURJKSA-N. The full InChI is InChI=1S/C21H33N3O/c1-4-21(5-2)16-18(22-20(21)25)9-10-23-11-13-24(14-12-23)19-8-6-7-17(3)15-19/h6-8,15,18H,4-5,9-14,16H2,1-3H3,(H,22,25)/t18-/m0/s1.
What are the key properties of (5R)-3,3-diethyl-5-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one?
(5R)-3,3-diethyl-5-[2-[4-(3-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 (5R)-3,3-diethyl-5-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 148615412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).