2-(4-aminopiperidin-1-yl)-1-pyrrolidin-1-ylethanone

C11H21N3O — CID 16777276

IUPAC2-(4-aminopiperidin-1-yl)-1-pyrrolidin-1-ylethanone
SMILESNC1CCN(CC(=O)N2CCCC2)CC1
InChIInChI=1S/C11H21N3O/c12-10-3-7-13(8-4-10)9-11(15)14-5-1-2-6-14/h10H,1-9,12H2
InChIKeyFSDCCFFIOYIWNZ-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.03
Rot. Bonds2

About 2-(4-aminopiperidin-1-yl)-1-pyrrolidin-1-ylethanone

2-(4-aminopiperidin-1-yl)-1-pyrrolidin-1-ylethanone (PubChem CID 16777276) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-1-pyrrolidin-1-ylethanone
PubChem CID16777276
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-(4-aminopiperidin-1-yl)-1-pyrrolidin-1-ylethanone
SMILESNC1CCN(CC(=O)N2CCCC2)CC1
InChIInChI=1S/C11H21N3O/c12-10-3-7-13(8-4-10)9-11(15)14-5-1-2-6-14/h10H,1-9,12H2
InChIKeyFSDCCFFIOYIWNZ-UHFFFAOYSA-N
XLogP0.03
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-1-pyrrolidin-1-ylethanone (CID 16777276) is 2-(4-aminopiperidin-1-yl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-1-pyrrolidin-1-ylethanone is NC1CCN(CC(=O)N2CCCC2)CC1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-1-pyrrolidin-1-ylethanone?
The InChIKey is FSDCCFFIOYIWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c12-10-3-7-13(8-4-10)9-11(15)14-5-1-2-6-14/h10H,1-9,12H2.
What are the key properties of 2-(4-aminopiperidin-1-yl)-1-pyrrolidin-1-ylethanone?
2-(4-aminopiperidin-1-yl)-1-pyrrolidin-1-ylethanone has a molecular weight of 211.31 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 16777276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).