1-(3-methylbutyl)piperidine-2,5-dione

C10H17NO2 — CID 83696753

IUPAC1-(3-methylbutyl)piperidine-2,5-dione
SMILESCC(C)CCN1CC(=O)CCC1=O
InChIInChI=1S/C10H17NO2/c1-8(2)5-6-11-7-9(12)3-4-10(11)13/h8H,3-7H2,1-2H3
InChIKeyCWXSKRBKKBZZNW-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.22
Rot. Bonds3

About 1-(3-methylbutyl)piperidine-2,5-dione

1-(3-methylbutyl)piperidine-2,5-dione (PubChem CID 83696753) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(3-methylbutyl)piperidine-2,5-dione.

Molecular Properties

Compound Name1-(3-methylbutyl)piperidine-2,5-dione
PubChem CID83696753
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-(3-methylbutyl)piperidine-2,5-dione
SMILESCC(C)CCN1CC(=O)CCC1=O
InChIInChI=1S/C10H17NO2/c1-8(2)5-6-11-7-9(12)3-4-10(11)13/h8H,3-7H2,1-2H3
InChIKeyCWXSKRBKKBZZNW-UHFFFAOYSA-N
XLogP1.22
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylbutyl)-6-oxopiperidine-3-carbonitrile
CID 116837809
1-[3-(tert-butylamino)propyl]-4-(3-methylbutyl)piperazine-2,5-dione
CID 138467312
1-(3-methylbutyl)-3-methylidenepyrrolidin-2-one
CID 53387967
4-(3-methylbutyl)morpholin-3-one
CID 58222536
4-amino-1-(3-methylbutyl)piperidin-2-one
CID 83636424
1-(2-hydroxyethyl)-4-(3-methylbutyl)piperazin-2-one
CID 164595271
1-(3-methylbutyl)-4-(4-propan-2-ylcyclohexyl)piperazin-2-one
CID 176796740
1,4,7,10-tetrakis(2-methylpropyl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
CID 146611403
7-(3-methylbutyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112598884
1-[2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 72933840
3-(3-methylbutyl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83238290
3-hydroxy-1-(3-methylbutyl)piperidin-2-one
CID 117014091

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)piperidine-2,5-dione?
The IUPAC name of 1-(3-methylbutyl)piperidine-2,5-dione (CID 83696753) is 1-(3-methylbutyl)piperidine-2,5-dione.
What is the SMILES notation for 1-(3-methylbutyl)piperidine-2,5-dione?
The canonical SMILES for 1-(3-methylbutyl)piperidine-2,5-dione is CC(C)CCN1CC(=O)CCC1=O.
What is the InChIKey of 1-(3-methylbutyl)piperidine-2,5-dione?
The InChIKey is CWXSKRBKKBZZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8(2)5-6-11-7-9(12)3-4-10(11)13/h8H,3-7H2,1-2H3.
What are the key properties of 1-(3-methylbutyl)piperidine-2,5-dione?
1-(3-methylbutyl)piperidine-2,5-dione has a molecular weight of 183.25 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)piperidine-2,5-dione is sourced from PubChem (CID 83696753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).