[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-cyclobutylmethanone

C14H25N3O — CID 80553884

IUPAC[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-cyclobutylmethanone
SMILESNC1CCN(C2CCN(C(=O)C3CCC3)C2)CC1
InChIInChI=1S/C14H25N3O/c15-12-4-7-16(8-5-12)13-6-9-17(10-13)14(18)11-2-1-3-11/h11-13H,1-10,15H2
InChIKeyQHACYICDNFZZIZ-UHFFFAOYSA-N
MW251.37 g/mol
LogP0.81
Rot. Bonds2

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

[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-cyclobutylmethanone (PubChem CID 80553884) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-cyclobutylmethanone.

Molecular Properties

Compound Name[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-cyclobutylmethanone
PubChem CID80553884
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-cyclobutylmethanone
SMILESNC1CCN(C2CCN(C(=O)C3CCC3)C2)CC1
InChIInChI=1S/C14H25N3O/c15-12-4-7-16(8-5-12)13-6-9-17(10-13)14(18)11-2-1-3-11/h11-13H,1-10,15H2
InChIKeyQHACYICDNFZZIZ-UHFFFAOYSA-N
XLogP0.81
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-aminopiperidin-1-yl)-cyclobutylmethanone
CID 16777962
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(oxolan-3-yl)methanone
CID 80553762
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(azepan-1-yl)methanone
CID 80552459
1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-cyclobutylethanone
CID 103165068
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(thiolan-2-yl)methanone
CID 80553846
(4-aminocyclohexyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 60953970
[(3S)-3-aminopyrrolidin-1-yl]-cyclooctylmethanone;hydrochloride
CID 119934542
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(2,2-dimethylcyclopentyl)methanone
CID 107180972
1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]propan-1-one
CID 80553918
3-(4-aminopiperidin-1-yl)-N-tert-butylpyrrolidine-1-carboxamide
CID 80553798
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]-cyclobutylmethanone?
The IUPAC name of [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-cyclobutylmethanone (CID 80553884) is [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-cyclobutylmethanone.
What is the SMILES notation for [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-cyclobutylmethanone?
The canonical SMILES for [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-cyclobutylmethanone is NC1CCN(C2CCN(C(=O)C3CCC3)C2)CC1.
What is the InChIKey of [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-cyclobutylmethanone?
The InChIKey is QHACYICDNFZZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c15-12-4-7-16(8-5-12)13-6-9-17(10-13)14(18)11-2-1-3-11/h11-13H,1-10,15H2.
What are the key properties of [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-cyclobutylmethanone?
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-cyclobutylmethanone has a molecular weight of 251.37 g/mol, XLogP of 0.81, 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]-cyclobutylmethanone is sourced from PubChem (CID 80553884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).