5-[[(1-ethylpiperidin-4-yl)methylamino]methyl]pyrrolidin-2-one

C13H25N3O — CID 107529310

IUPAC5-[[(1-ethylpiperidin-4-yl)methylamino]methyl]pyrrolidin-2-one
SMILESCCN1CCC(CNCC2CCC(=O)N2)CC1
InChIInChI=1S/C13H25N3O/c1-2-16-7-5-11(6-8-16)9-14-10-12-3-4-13(17)15-12/h11-12,14H,2-10H2,1H3,(H,15,17)
InChIKeySXIHHXGLRPLPRK-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.59
Rot. Bonds5

About 5-[[(1-ethylpiperidin-4-yl)methylamino]methyl]pyrrolidin-2-one

5-[[(1-ethylpiperidin-4-yl)methylamino]methyl]pyrrolidin-2-one (PubChem CID 107529310) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 5-[[(1-ethylpiperidin-4-yl)methylamino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[(1-ethylpiperidin-4-yl)methylamino]methyl]pyrrolidin-2-one
PubChem CID107529310
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name5-[[(1-ethylpiperidin-4-yl)methylamino]methyl]pyrrolidin-2-one
SMILESCCN1CCC(CNCC2CCC(=O)N2)CC1
InChIInChI=1S/C13H25N3O/c1-2-16-7-5-11(6-8-16)9-14-10-12-3-4-13(17)15-12/h11-12,14H,2-10H2,1H3,(H,15,17)
InChIKeySXIHHXGLRPLPRK-UHFFFAOYSA-N
XLogP0.59
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-N-[(1-ethylpiperidin-4-yl)methyl]methanamine
CID 65457568
5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]pyrrolidin-2-one
CID 107529483
(5S)-5-[(2-methylpropylamino)methyl]pyrrolidin-2-one
CID 139457807
(5S)-5-[(prop-2-ynylamino)methyl]pyrrolidin-2-one
CID 166066315
tert-butyl 2-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]pyrrolidine-1-carboxylate
CID 106638538
5-[(hexylamino)methyl]pyrrolidin-2-one
CID 60727785
5-[(3-hydroxypentylamino)methyl]pyrrolidin-2-one
CID 107530049
methyl 2-[(2S)-5-oxopyrrolidin-2-yl]acetate
CID 10877378
N-[(1-ethylpiperidin-4-yl)methyl]prop-2-yn-1-amine
CID 62141446
N-[(1-ethylpiperidin-4-yl)methyl]acetamide
CID 60968762
5-[[2-(dimethylamino)ethylamino]methyl]pyrrolidin-2-one
CID 60726501
5-[(2-cyclopropylpropylamino)methyl]pyrrolidin-2-one
CID 107529963

Frequently Asked Questions

What is the IUPAC name of 5-[[(1-ethylpiperidin-4-yl)methylamino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[(1-ethylpiperidin-4-yl)methylamino]methyl]pyrrolidin-2-one (CID 107529310) is 5-[[(1-ethylpiperidin-4-yl)methylamino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[(1-ethylpiperidin-4-yl)methylamino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[(1-ethylpiperidin-4-yl)methylamino]methyl]pyrrolidin-2-one is CCN1CCC(CNCC2CCC(=O)N2)CC1.
What is the InChIKey of 5-[[(1-ethylpiperidin-4-yl)methylamino]methyl]pyrrolidin-2-one?
The InChIKey is SXIHHXGLRPLPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-2-16-7-5-11(6-8-16)9-14-10-12-3-4-13(17)15-12/h11-12,14H,2-10H2,1H3,(H,15,17).
What are the key properties of 5-[[(1-ethylpiperidin-4-yl)methylamino]methyl]pyrrolidin-2-one?
5-[[(1-ethylpiperidin-4-yl)methylamino]methyl]pyrrolidin-2-one has a molecular weight of 239.36 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1-ethylpiperidin-4-yl)methylamino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 107529310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).