1-[2-[3-(methylaminomethyl)piperidin-1-yl]acetyl]pyrrolidin-2-one

C13H23N3O2 — CID 61204984

IUPAC1-[2-[3-(methylaminomethyl)piperidin-1-yl]acetyl]pyrrolidin-2-one
SMILESCNCC1CCCN(CC(=O)N2CCCC2=O)C1
InChIInChI=1S/C13H23N3O2/c1-14-8-11-4-2-6-15(9-11)10-13(18)16-7-3-5-12(16)17/h11,14H,2-10H2,1H3
InChIKeyTXJHGAQIBPJQPX-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.07
Rot. Bonds4

About 1-[2-[3-(methylaminomethyl)piperidin-1-yl]acetyl]pyrrolidin-2-one

1-[2-[3-(methylaminomethyl)piperidin-1-yl]acetyl]pyrrolidin-2-one (PubChem CID 61204984) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-[2-[3-(methylaminomethyl)piperidin-1-yl]acetyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[3-(methylaminomethyl)piperidin-1-yl]acetyl]pyrrolidin-2-one
PubChem CID61204984
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-[2-[3-(methylaminomethyl)piperidin-1-yl]acetyl]pyrrolidin-2-one
SMILESCNCC1CCCN(CC(=O)N2CCCC2=O)C1
InChIInChI=1S/C13H23N3O2/c1-14-8-11-4-2-6-15(9-11)10-13(18)16-7-3-5-12(16)17/h11,14H,2-10H2,1H3
InChIKeyTXJHGAQIBPJQPX-UHFFFAOYSA-N
XLogP0.07
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(methylaminomethyl)piperidin-1-yl]-1-piperidin-1-ylethanone
CID 61205358
1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetyl]pyrrolidin-2-one
CID 62371576
1-(2,3-dihydroindol-1-yl)-2-[3-(methylaminomethyl)piperidin-1-yl]ethanone
CID 61204032
1-[2-[3-(aminomethyl)pyrrolidin-1-yl]acetyl]pyrrolidin-2-one
CID 62063066
1-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 63263320
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 63267736
2-[3-(methylaminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride
CID 119914462
N-cyclohexyl-N-ethyl-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119914794
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[3-(methylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119914457
N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide
CID 95215756
1-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one;hydrochloride
CID 119544452
N-(cyclopenten-1-yl)-N-ethyl-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide
CID 78967888

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(methylaminomethyl)piperidin-1-yl]acetyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[3-(methylaminomethyl)piperidin-1-yl]acetyl]pyrrolidin-2-one (CID 61204984) is 1-[2-[3-(methylaminomethyl)piperidin-1-yl]acetyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[3-(methylaminomethyl)piperidin-1-yl]acetyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[3-(methylaminomethyl)piperidin-1-yl]acetyl]pyrrolidin-2-one is CNCC1CCCN(CC(=O)N2CCCC2=O)C1.
What is the InChIKey of 1-[2-[3-(methylaminomethyl)piperidin-1-yl]acetyl]pyrrolidin-2-one?
The InChIKey is TXJHGAQIBPJQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-14-8-11-4-2-6-15(9-11)10-13(18)16-7-3-5-12(16)17/h11,14H,2-10H2,1H3.
What are the key properties of 1-[2-[3-(methylaminomethyl)piperidin-1-yl]acetyl]pyrrolidin-2-one?
1-[2-[3-(methylaminomethyl)piperidin-1-yl]acetyl]pyrrolidin-2-one has a molecular weight of 253.35 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(methylaminomethyl)piperidin-1-yl]acetyl]pyrrolidin-2-one is sourced from PubChem (CID 61204984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).