1-[(1-tert-butylpiperidin-4-yl)methyl]pyrrolidin-2-one

C14H26N2O — CID 59776829

IUPAC1-[(1-tert-butylpiperidin-4-yl)methyl]pyrrolidin-2-one
SMILESCC(C)(C)N1CCC(CN2CCCC2=O)CC1
InChIInChI=1S/C14H26N2O/c1-14(2,3)16-9-6-12(7-10-16)11-15-8-4-5-13(15)17/h12H,4-11H2,1-3H3
InChIKeyJANZOHRBQKJNIN-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.12
Rot. Bonds2

About 1-[(1-tert-butylpiperidin-4-yl)methyl]pyrrolidin-2-one

1-[(1-tert-butylpiperidin-4-yl)methyl]pyrrolidin-2-one (PubChem CID 59776829) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-[(1-tert-butylpiperidin-4-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(1-tert-butylpiperidin-4-yl)methyl]pyrrolidin-2-one
PubChem CID59776829
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-[(1-tert-butylpiperidin-4-yl)methyl]pyrrolidin-2-one
SMILESCC(C)(C)N1CCC(CN2CCCC2=O)CC1
InChIInChI=1S/C14H26N2O/c1-14(2,3)16-9-6-12(7-10-16)11-15-8-4-5-13(15)17/h12H,4-11H2,1-3H3
InChIKeyJANZOHRBQKJNIN-UHFFFAOYSA-N
XLogP2.12
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-[(4-methylcyclohexyl)methyl]pyrrolidin-2-one
CID 162255523
1-[[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]piperidin-2-one
CID 111496581
1-(piperidin-4-ylmethyl)pyrrolidin-2-one;dihydrochloride
CID 155973196
1-[[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]methyl]piperidin-2-one
CID 119794155
1-tert-butyl-5-[(1-tert-butylpiperidin-4-yl)methyl]-1,5-diazocane
CID 146549054
1-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]piperidin-2-one
CID 119931911
1-[[1-[(2-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]pyrrolidin-2-one
CID 70773529
1-[[1-(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one
CID 146104045
1-(cyclohexylmethyl)-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]piperidin-2-one
CID 45242721
1-[(6-methylpiperidin-3-yl)methyl]piperidin-2-one
CID 63008530
1-[[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one
CID 14554102
1-[[1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one
CID 14554108

Frequently Asked Questions

What is the IUPAC name of 1-[(1-tert-butylpiperidin-4-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 1-[(1-tert-butylpiperidin-4-yl)methyl]pyrrolidin-2-one (CID 59776829) is 1-[(1-tert-butylpiperidin-4-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(1-tert-butylpiperidin-4-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(1-tert-butylpiperidin-4-yl)methyl]pyrrolidin-2-one is CC(C)(C)N1CCC(CN2CCCC2=O)CC1.
What is the InChIKey of 1-[(1-tert-butylpiperidin-4-yl)methyl]pyrrolidin-2-one?
The InChIKey is JANZOHRBQKJNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-14(2,3)16-9-6-12(7-10-16)11-15-8-4-5-13(15)17/h12H,4-11H2,1-3H3.
What are the key properties of 1-[(1-tert-butylpiperidin-4-yl)methyl]pyrrolidin-2-one?
1-[(1-tert-butylpiperidin-4-yl)methyl]pyrrolidin-2-one has a molecular weight of 238.37 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-tert-butylpiperidin-4-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 59776829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).