[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(2,2-dimethylcyclopentyl)methanone

C17H31N3O — CID 107180972

IUPAC[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(2,2-dimethylcyclopentyl)methanone
SMILESCC1(C)CCCC1C(=O)N1CCC(N2CCC(N)CC2)C1
InChIInChI=1S/C17H31N3O/c1-17(2)8-3-4-15(17)16(21)20-11-7-14(12-20)19-9-5-13(18)6-10-19/h13-15H,3-12,18H2,1-2H3
InChIKeyJQFBYGWJHJLUAJ-UHFFFAOYSA-N
MW293.45 g/mol
LogP1.84
Rot. Bonds2

About [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(2,2-dimethylcyclopentyl)methanone

[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(2,2-dimethylcyclopentyl)methanone (PubChem CID 107180972) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(2,2-dimethylcyclopentyl)methanone.

Molecular Properties

Compound Name[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(2,2-dimethylcyclopentyl)methanone
PubChem CID107180972
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(2,2-dimethylcyclopentyl)methanone
SMILESCC1(C)CCCC1C(=O)N1CCC(N2CCC(N)CC2)C1
InChIInChI=1S/C17H31N3O/c1-17(2)8-3-4-15(17)16(21)20-11-7-14(12-20)19-9-5-13(18)6-10-19/h13-15H,3-12,18H2,1-2H3
InChIKeyJQFBYGWJHJLUAJ-UHFFFAOYSA-N
XLogP1.84
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(aminomethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopentyl)methanone
CID 107180661
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-cyclobutylmethanone
CID 80553884
(4-bromopiperidin-1-yl)-(2,2-dimethylcyclopentyl)methanone
CID 107183919
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(thiolan-2-yl)methanone
CID 80553846
(2,2-dimethylcyclopentyl)-(4-hydroxypiperidin-1-yl)methanone
CID 104917952
(2,2-dimethylcyclohexyl)-(3-piperazin-1-ylazetidin-1-yl)methanone
CID 107180891
1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-cyclobutylethanone
CID 103165068
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(azepan-1-yl)methanone
CID 80552459
(2,2-dimethylcyclopentyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 104919981
1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]propan-1-one
CID 80553918
1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-cyclohexylethanone
CID 80552639
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone
CID 81330276

Frequently Asked Questions

What is the IUPAC name of [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(2,2-dimethylcyclopentyl)methanone?
The IUPAC name of [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(2,2-dimethylcyclopentyl)methanone (CID 107180972) is [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(2,2-dimethylcyclopentyl)methanone.
What is the SMILES notation for [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(2,2-dimethylcyclopentyl)methanone?
The canonical SMILES for [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(2,2-dimethylcyclopentyl)methanone is CC1(C)CCCC1C(=O)N1CCC(N2CCC(N)CC2)C1.
What is the InChIKey of [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(2,2-dimethylcyclopentyl)methanone?
The InChIKey is JQFBYGWJHJLUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-17(2)8-3-4-15(17)16(21)20-11-7-14(12-20)19-9-5-13(18)6-10-19/h13-15H,3-12,18H2,1-2H3.
What are the key properties of [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(2,2-dimethylcyclopentyl)methanone?
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(2,2-dimethylcyclopentyl)methanone has a molecular weight of 293.45 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(2,2-dimethylcyclopentyl)methanone is sourced from PubChem (CID 107180972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).