3-methyl-4-(3-propan-2-ylpyrrolidine-3-carbonyl)piperazin-2-one

C13H23N3O2 — CID 106980684

IUPAC3-methyl-4-(3-propan-2-ylpyrrolidine-3-carbonyl)piperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)C1(C(C)C)CCNC1
InChIInChI=1S/C13H23N3O2/c1-9(2)13(4-5-14-8-13)12(18)16-7-6-15-11(17)10(16)3/h9-10,14H,4-8H2,1-3H3,(H,15,17)
InChIKeySSTNYCXHDFSTTD-UHFFFAOYSA-N
MW253.35 g/mol
LogP-0.03
Rot. Bonds2

About 3-methyl-4-(3-propan-2-ylpyrrolidine-3-carbonyl)piperazin-2-one

3-methyl-4-(3-propan-2-ylpyrrolidine-3-carbonyl)piperazin-2-one (PubChem CID 106980684) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-methyl-4-(3-propan-2-ylpyrrolidine-3-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name3-methyl-4-(3-propan-2-ylpyrrolidine-3-carbonyl)piperazin-2-one
PubChem CID106980684
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name3-methyl-4-(3-propan-2-ylpyrrolidine-3-carbonyl)piperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)C1(C(C)C)CCNC1
InChIInChI=1S/C13H23N3O2/c1-9(2)13(4-5-14-8-13)12(18)16-7-6-15-11(17)10(16)3/h9-10,14H,4-8H2,1-3H3,(H,15,17)
InChIKeySSTNYCXHDFSTTD-UHFFFAOYSA-N
XLogP-0.03
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyl-3-oxopiperazine-1-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983885
(3,4-dimethylpyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980906
3-methyl-4-(2-sulfanylpropanoyl)piperazin-2-one
CID 107029810
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 107217784
4-acetyl-3-methylpiperazin-2-one
CID 13190467
4-[(2S)-2-aminopropanoyl]-3-methylpiperazin-2-one
CID 63606378
(2,6-dimethylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106979589
8-azaspiro[4.5]decan-8-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980652
4-(2-cyclopropylpropanoyl)-3-methylpiperazin-2-one
CID 79506767
(3-hydroxypyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980620
(4-ethyl-4-methylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980650
(4-hydroxy-3-methylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106981349

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(3-propan-2-ylpyrrolidine-3-carbonyl)piperazin-2-one?
The IUPAC name of 3-methyl-4-(3-propan-2-ylpyrrolidine-3-carbonyl)piperazin-2-one (CID 106980684) is 3-methyl-4-(3-propan-2-ylpyrrolidine-3-carbonyl)piperazin-2-one.
What is the SMILES notation for 3-methyl-4-(3-propan-2-ylpyrrolidine-3-carbonyl)piperazin-2-one?
The canonical SMILES for 3-methyl-4-(3-propan-2-ylpyrrolidine-3-carbonyl)piperazin-2-one is CC1C(=O)NCCN1C(=O)C1(C(C)C)CCNC1.
What is the InChIKey of 3-methyl-4-(3-propan-2-ylpyrrolidine-3-carbonyl)piperazin-2-one?
The InChIKey is SSTNYCXHDFSTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-9(2)13(4-5-14-8-13)12(18)16-7-6-15-11(17)10(16)3/h9-10,14H,4-8H2,1-3H3,(H,15,17).
What are the key properties of 3-methyl-4-(3-propan-2-ylpyrrolidine-3-carbonyl)piperazin-2-one?
3-methyl-4-(3-propan-2-ylpyrrolidine-3-carbonyl)piperazin-2-one has a molecular weight of 253.35 g/mol, XLogP of -0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(3-propan-2-ylpyrrolidine-3-carbonyl)piperazin-2-one is sourced from PubChem (CID 106980684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).