1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-cyclobutylethanone

C15H27N3O — CID 103165068

IUPAC1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-cyclobutylethanone
SMILESNC1CCN(C2CCN(C(=O)CC3CCC3)C2)CC1
InChIInChI=1S/C15H27N3O/c16-13-4-7-17(8-5-13)14-6-9-18(11-14)15(19)10-12-2-1-3-12/h12-14H,1-11,16H2
InChIKeyMTHILYKFXWYGMX-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.20
Rot. Bonds3

About 1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-cyclobutylethanone

1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-cyclobutylethanone (PubChem CID 103165068) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-cyclobutylethanone.

Molecular Properties

Compound Name1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-cyclobutylethanone
PubChem CID103165068
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-cyclobutylethanone
SMILESNC1CCN(C2CCN(C(=O)CC3CCC3)C2)CC1
InChIInChI=1S/C15H27N3O/c16-13-4-7-17(8-5-13)14-6-9-18(11-14)15(19)10-12-2-1-3-12/h12-14H,1-11,16H2
InChIKeyMTHILYKFXWYGMX-UHFFFAOYSA-N
XLogP1.20
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-cyclohexylethanone
CID 80552639
1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]propan-1-one
CID 80553918
2-cycloheptyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone
CID 120997204
1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-(1-methoxycyclobutyl)ethanone
CID 103557359
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-cyclobutylmethanone
CID 80553884
2-cyclopropyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone;hydrochloride
CID 120997503
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(azepan-1-yl)methanone
CID 80552459
2-(azetidin-3-yl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
CID 64612264
2-cyclobutyl-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 103745565
1-[1-(2-cyclohexylacetyl)azetidin-3-yl]piperidine-4-carboxamide
CID 121154006
2-(4-methylcyclohexyl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone
CID 120996941
3-(4-aminopiperidin-1-yl)-N-cyclopropylpyrrolidine-1-carboxamide
CID 80553937

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-cyclobutylethanone?
The IUPAC name of 1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-cyclobutylethanone (CID 103165068) is 1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-cyclobutylethanone.
What is the SMILES notation for 1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-cyclobutylethanone?
The canonical SMILES for 1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-cyclobutylethanone is NC1CCN(C2CCN(C(=O)CC3CCC3)C2)CC1.
What is the InChIKey of 1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-cyclobutylethanone?
The InChIKey is MTHILYKFXWYGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c16-13-4-7-17(8-5-13)14-6-9-18(11-14)15(19)10-12-2-1-3-12/h12-14H,1-11,16H2.
What are the key properties of 1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-cyclobutylethanone?
1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-cyclobutylethanone has a molecular weight of 265.40 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-cyclobutylethanone is sourced from PubChem (CID 103165068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).