4-tert-butyl-1-(2-piperidin-2-ylethyl)pyrrolidin-2-one

C15H28N2O — CID 113421171

IUPAC4-tert-butyl-1-(2-piperidin-2-ylethyl)pyrrolidin-2-one
SMILESCC(C)(C)C1CC(=O)N(CCC2CCCCN2)C1
InChIInChI=1S/C15H28N2O/c1-15(2,3)12-10-14(18)17(11-12)9-7-13-6-4-5-8-16-13/h12-13,16H,4-11H2,1-3H3
InChIKeyMEZRRYRFWWWLDY-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.41
Rot. Bonds3

About 4-tert-butyl-1-(2-piperidin-2-ylethyl)pyrrolidin-2-one

4-tert-butyl-1-(2-piperidin-2-ylethyl)pyrrolidin-2-one (PubChem CID 113421171) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 4-tert-butyl-1-(2-piperidin-2-ylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-tert-butyl-1-(2-piperidin-2-ylethyl)pyrrolidin-2-one
PubChem CID113421171
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name4-tert-butyl-1-(2-piperidin-2-ylethyl)pyrrolidin-2-one
SMILESCC(C)(C)C1CC(=O)N(CCC2CCCCN2)C1
InChIInChI=1S/C15H28N2O/c1-15(2,3)12-10-14(18)17(11-12)9-7-13-6-4-5-8-16-13/h12-13,16H,4-11H2,1-3H3
InChIKeyMEZRRYRFWWWLDY-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-1-(3-pyrrolidin-2-ylpropyl)pyrrolidin-2-one
CID 104512063
4-methyl-1-(2-piperidin-2-ylethyl)pyrrolidin-2-one
CID 63104430
1-(2-piperidin-2-ylethyl)-4-propylimidazolidin-2-one
CID 116980617
4-methyl-1-(piperidin-2-ylmethyl)pyrrolidin-2-one
CID 63104427
3,3-dimethyl-4-(2-piperidin-2-ylethyl)piperazine-2,6-dione
CID 66075534
5-methyl-2-(2-piperidin-2-ylethyl)-1H-pyrazol-3-one
CID 84722940
1-[(2R)-2-aminopropyl]-4-tert-butylpyrrolidin-2-one
CID 104511523
2-(2-piperidin-2-ylethyl)-2-azaspiro[4.5]decane-1,3-dione
CID 43437197
2-(2-piperidin-2-ylethyl)-3H-isoindol-1-one
CID 117030133
1-methyl-4-(2-pyrrolidin-2-ylethyl)-3H-quinoxalin-2-one
CID 117030800
5-fluoro-1-(2-piperidin-2-ylethyl)pyridin-2-one
CID 82147333
4-tert-butyl-1-(pyrrolidin-2-ylmethyl)imidazolidin-2-one
CID 116979067

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(2-piperidin-2-ylethyl)pyrrolidin-2-one?
The IUPAC name of 4-tert-butyl-1-(2-piperidin-2-ylethyl)pyrrolidin-2-one (CID 113421171) is 4-tert-butyl-1-(2-piperidin-2-ylethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-tert-butyl-1-(2-piperidin-2-ylethyl)pyrrolidin-2-one?
The canonical SMILES for 4-tert-butyl-1-(2-piperidin-2-ylethyl)pyrrolidin-2-one is CC(C)(C)C1CC(=O)N(CCC2CCCCN2)C1.
What is the InChIKey of 4-tert-butyl-1-(2-piperidin-2-ylethyl)pyrrolidin-2-one?
The InChIKey is MEZRRYRFWWWLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-15(2,3)12-10-14(18)17(11-12)9-7-13-6-4-5-8-16-13/h12-13,16H,4-11H2,1-3H3.
What are the key properties of 4-tert-butyl-1-(2-piperidin-2-ylethyl)pyrrolidin-2-one?
4-tert-butyl-1-(2-piperidin-2-ylethyl)pyrrolidin-2-one has a molecular weight of 252.40 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(2-piperidin-2-ylethyl)pyrrolidin-2-one is sourced from PubChem (CID 113421171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).