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

C17H31N3O — CID 80552639

IUPAC1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-cyclohexylethanone
SMILESNC1CCN(C2CCN(C(=O)CC3CCCCC3)C2)CC1
InChIInChI=1S/C17H31N3O/c18-15-6-9-19(10-7-15)16-8-11-20(13-16)17(21)12-14-4-2-1-3-5-14/h14-16H,1-13,18H2
InChIKeyCXOBQJQTKRNYNF-UHFFFAOYSA-N
MW293.46 g/mol
LogP1.98
Rot. Bonds3

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

1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-cyclohexylethanone (PubChem CID 80552639) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is 1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-cyclohexylethanone.

Molecular Properties

Compound Name1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-cyclohexylethanone
PubChem CID80552639
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC Name1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-cyclohexylethanone
SMILESNC1CCN(C2CCN(C(=O)CC3CCCCC3)C2)CC1
InChIInChI=1S/C17H31N3O/c18-15-6-9-19(10-7-15)16-8-11-20(13-16)17(21)12-14-4-2-1-3-5-14/h14-16H,1-13,18H2
InChIKeyCXOBQJQTKRNYNF-UHFFFAOYSA-N
XLogP1.98
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-cyclobutylethanone
CID 103165068
2-cycloheptyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone
CID 120997204
1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]propan-1-one
CID 80553918
1-[1-(2-cyclohexylacetyl)azetidin-3-yl]piperidine-4-carboxamide
CID 121154006
1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-(1-methoxycyclobutyl)ethanone
CID 103557359
[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-cyclopropyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone;hydrochloride
CID 120997503
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-cyclohexylethanone;hydrochloride
CID 119260296
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-cyclobutylmethanone
CID 80553884
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(2-aminocyclohexyl)ethanone
CID 79937510
2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone;dihydrochloride
CID 119877838

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-cyclohexylethanone?
The IUPAC name of 1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-cyclohexylethanone (CID 80552639) is 1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-cyclohexylethanone.
What is the SMILES notation for 1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-cyclohexylethanone?
The canonical SMILES for 1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-cyclohexylethanone is NC1CCN(C2CCN(C(=O)CC3CCCCC3)C2)CC1.
What is the InChIKey of 1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-cyclohexylethanone?
The InChIKey is CXOBQJQTKRNYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c18-15-6-9-19(10-7-15)16-8-11-20(13-16)17(21)12-14-4-2-1-3-5-14/h14-16H,1-13,18H2.
What are the key properties of 1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-cyclohexylethanone?
1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-cyclohexylethanone has a molecular weight of 293.46 g/mol, XLogP of 1.98, 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-cyclohexylethanone is sourced from PubChem (CID 80552639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).