1-[(2-methylpiperidin-3-yl)methyl]pyrrolidin-2-one

C11H20N2O — CID 130600593

IUPAC1-[(2-methylpiperidin-3-yl)methyl]pyrrolidin-2-one
SMILESCC1NCCCC1CN1CCCC1=O
InChIInChI=1S/C11H20N2O/c1-9-10(4-2-6-12-9)8-13-7-3-5-11(13)14/h9-10,12H,2-8H2,1H3
InChIKeyJJKJNSOEWJFFRU-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.00
Rot. Bonds2

About 1-[(2-methylpiperidin-3-yl)methyl]pyrrolidin-2-one

1-[(2-methylpiperidin-3-yl)methyl]pyrrolidin-2-one (PubChem CID 130600593) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-[(2-methylpiperidin-3-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2-methylpiperidin-3-yl)methyl]pyrrolidin-2-one
PubChem CID130600593
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-[(2-methylpiperidin-3-yl)methyl]pyrrolidin-2-one
SMILESCC1NCCCC1CN1CCCC1=O
InChIInChI=1S/C11H20N2O/c1-9-10(4-2-6-12-9)8-13-7-3-5-11(13)14/h9-10,12H,2-8H2,1H3
InChIKeyJJKJNSOEWJFFRU-UHFFFAOYSA-N
XLogP1.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(4aS,8R,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-8-yl]methyl]piperidin-2-one
CID 102380748
ethane;1-[(4-methylcyclohexyl)methyl]pyrrolidin-2-one
CID 162255523
1-(piperidin-4-ylmethyl)pyrrolidin-2-one;dihydrochloride
CID 155973196
N-(2-methylpiperidin-3-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 120577841
1-[(6-methylpiperidin-3-yl)methyl]piperidin-2-one
CID 63008530
1-[3-[(2S)-pyrrolidin-2-yl]prop-2-ynyl]pyrrolidin-2-one
CID 14756510
N-methyl-1-[(2R,3S)-2-methylpiperidin-3-yl]methanamine
CID 143489270
1-[(1-tert-butylpiperidin-4-yl)methyl]pyrrolidin-2-one
CID 59776829
(2-methylpiperidin-3-yl)methanol
CID 19019552
N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide
CID 54863360
3-methyl-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidin-2-one
CID 102819920
1-[(2-methylpyrrolidin-3-yl)methyl]azocane
CID 79385329

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpiperidin-3-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 1-[(2-methylpiperidin-3-yl)methyl]pyrrolidin-2-one (CID 130600593) is 1-[(2-methylpiperidin-3-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2-methylpiperidin-3-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2-methylpiperidin-3-yl)methyl]pyrrolidin-2-one is CC1NCCCC1CN1CCCC1=O.
What is the InChIKey of 1-[(2-methylpiperidin-3-yl)methyl]pyrrolidin-2-one?
The InChIKey is JJKJNSOEWJFFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-9-10(4-2-6-12-9)8-13-7-3-5-11(13)14/h9-10,12H,2-8H2,1H3.
What are the key properties of 1-[(2-methylpiperidin-3-yl)methyl]pyrrolidin-2-one?
1-[(2-methylpiperidin-3-yl)methyl]pyrrolidin-2-one has a molecular weight of 196.29 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpiperidin-3-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 130600593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).