1-(3-methylbutyl)-3-(4-propanoylpiperazin-1-yl)pyrrolidin-2-one

C16H29N3O2 — CID 91925777

IUPAC1-(3-methylbutyl)-3-(4-propanoylpiperazin-1-yl)pyrrolidin-2-one
SMILESCCC(=O)N1CCN(C2CCN(CCC(C)C)C2=O)CC1
InChIInChI=1S/C16H29N3O2/c1-4-15(20)18-11-9-17(10-12-18)14-6-8-19(16(14)21)7-5-13(2)3/h13-14H,4-12H2,1-3H3
InChIKeyZITCARFRJSNORD-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.19
Rot. Bonds5

About 1-(3-methylbutyl)-3-(4-propanoylpiperazin-1-yl)pyrrolidin-2-one

1-(3-methylbutyl)-3-(4-propanoylpiperazin-1-yl)pyrrolidin-2-one (PubChem CID 91925777) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-(3-methylbutyl)-3-(4-propanoylpiperazin-1-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-methylbutyl)-3-(4-propanoylpiperazin-1-yl)pyrrolidin-2-one
PubChem CID91925777
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name1-(3-methylbutyl)-3-(4-propanoylpiperazin-1-yl)pyrrolidin-2-one
SMILESCCC(=O)N1CCN(C2CCN(CCC(C)C)C2=O)CC1
InChIInChI=1S/C16H29N3O2/c1-4-15(20)18-11-9-17(10-12-18)14-6-8-19(16(14)21)7-5-13(2)3/h13-14H,4-12H2,1-3H3
InChIKeyZITCARFRJSNORD-UHFFFAOYSA-N
XLogP1.19
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-Dimethyl-1,4-bis(3-methylbutanoyl)piperazine
CID 2931940
Piperazine, 1-methyl-4-((2-oxo-1-pyrrolidinyl)acetyl)-
CID 133525
3-Methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 11229181
(2S)-2-(3-methyl-2-oxopyrrolidin-1-yl)butanamide
CID 11344412
(2S)-2-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]butanamide
CID 44367490
1-Cyclohexyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 4251317
3-Methyl-1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolidine-2,5-dione
CID 127038269
3,3-Dimethyl-1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolidine-2,5-dione
CID 127039282
Cyclo-(N-MeVal-N-MeAla)
CID 139587941
1-[2-(4-Methylpiperazinyl)acetyl]pyrrolidin-2-one
CID 667777
1-Ethyl-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 2991391
3-(4-Cyclopropanecarbonylpiperazin-1-YL)-1-(3-methylbutyl)pyrrolidin-2-one
CID 91913092

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-3-(4-propanoylpiperazin-1-yl)pyrrolidin-2-one?
The IUPAC name of 1-(3-methylbutyl)-3-(4-propanoylpiperazin-1-yl)pyrrolidin-2-one (CID 91925777) is 1-(3-methylbutyl)-3-(4-propanoylpiperazin-1-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3-methylbutyl)-3-(4-propanoylpiperazin-1-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(3-methylbutyl)-3-(4-propanoylpiperazin-1-yl)pyrrolidin-2-one is CCC(=O)N1CCN(C2CCN(CCC(C)C)C2=O)CC1.
What is the InChIKey of 1-(3-methylbutyl)-3-(4-propanoylpiperazin-1-yl)pyrrolidin-2-one?
The InChIKey is ZITCARFRJSNORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-4-15(20)18-11-9-17(10-12-18)14-6-8-19(16(14)21)7-5-13(2)3/h13-14H,4-12H2,1-3H3.
What are the key properties of 1-(3-methylbutyl)-3-(4-propanoylpiperazin-1-yl)pyrrolidin-2-one?
1-(3-methylbutyl)-3-(4-propanoylpiperazin-1-yl)pyrrolidin-2-one has a molecular weight of 295.43 g/mol, XLogP of 1.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-3-(4-propanoylpiperazin-1-yl)pyrrolidin-2-one is sourced from PubChem (CID 91925777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).