2-[2-(methylaminomethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone

C13H25N3O — CID 63249944

IUPAC2-[2-(methylaminomethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCNCC1CCCCN1CC(=O)N1CCCC1
InChIInChI=1S/C13H25N3O/c1-14-10-12-6-2-3-9-16(12)11-13(17)15-7-4-5-8-15/h12,14H,2-11H2,1H3
InChIKeyVOBUVSSFTJPCDZ-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.68
Rot. Bonds4

About 2-[2-(methylaminomethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone

2-[2-(methylaminomethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 63249944) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[2-(methylaminomethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-(methylaminomethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID63249944
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-[2-(methylaminomethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCNCC1CCCCN1CC(=O)N1CCCC1
InChIInChI=1S/C13H25N3O/c1-14-10-12-6-2-3-9-16(12)11-13(17)15-7-4-5-8-15/h12,14H,2-11H2,1H3
InChIKeyVOBUVSSFTJPCDZ-UHFFFAOYSA-N
XLogP0.68
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 81490555
1-[2-[2-(methylaminomethyl)piperidin-1-yl]acetyl]piperidine-3-carboxamide
CID 63250205
2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 63849232
2-[2-(methylaminomethyl)piperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 63249850
2-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]-1-piperidin-1-ylethanone
CID 63854605
1-(2,6-dimethylpiperidin-1-yl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 81490562
2-[2-(methylaminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 63250032
methyl N-[2-[2-(methylaminomethyl)piperidin-1-yl]acetyl]carbamate
CID 63250167
propan-2-yl 2-[2-(methylaminomethyl)piperidin-1-yl]acetate
CID 63249964
N-methyl-1-[1-(2-methylidenebutyl)piperidin-2-yl]methanamine
CID 66044070
2-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-2-yl]acetic acid
CID 54899772
N-cyclopropyl-N-ethyl-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63250442

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylaminomethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[2-(methylaminomethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone (CID 63249944) is 2-[2-(methylaminomethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[2-(methylaminomethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[2-(methylaminomethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone is CNCC1CCCCN1CC(=O)N1CCCC1.
What is the InChIKey of 2-[2-(methylaminomethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is VOBUVSSFTJPCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-14-10-12-6-2-3-9-16(12)11-13(17)15-7-4-5-8-15/h12,14H,2-11H2,1H3.
What are the key properties of 2-[2-(methylaminomethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone?
2-[2-(methylaminomethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 239.36 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylaminomethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 63249944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).