2-[3-(1-aminoethyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one

C14H27N3O — CID 63845229

IUPAC2-[3-(1-aminoethyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(N)C1CCCN(C(C)C(=O)N2CCCC2)C1
InChIInChI=1S/C14H27N3O/c1-11(15)13-6-5-9-17(10-13)12(2)14(18)16-7-3-4-8-16/h11-13H,3-10,15H2,1-2H3
InChIKeyVQJJRGOLRQZTKB-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.06
Rot. Bonds3

About 2-[3-(1-aminoethyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one

2-[3-(1-aminoethyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 63845229) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-[3-(1-aminoethyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[3-(1-aminoethyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID63845229
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-[3-(1-aminoethyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(N)C1CCCN(C(C)C(=O)N2CCCC2)C1
InChIInChI=1S/C14H27N3O/c1-11(15)13-6-5-9-17(10-13)12(2)14(18)16-7-3-4-8-16/h11-13H,3-10,15H2,1-2H3
InChIKeyVQJJRGOLRQZTKB-UHFFFAOYSA-N
XLogP1.06
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-1-yl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propan-1-one
CID 63854094
2-[(3R)-3-aminopiperidin-1-yl]-1-(azepan-1-yl)propan-1-one
CID 102977209
2-(3-aminopiperidin-1-yl)-1-piperidin-1-ylpropan-1-one
CID 61297073
1-(azepan-1-yl)-2-(3-hydroxypiperidin-1-yl)propan-1-one
CID 60677400
2-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 63854633
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(3-methylbutyl)propanamide
CID 55258927
(3S)-N-cyclopropyl-1-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperidine-3-carboxamide
CID 95104508
2-[3-(1-aminoethyl)piperidin-1-yl]-N-tert-butylpropanamide
CID 55258736
1-[1-(azepan-1-yl)-1-oxopropan-2-yl]piperidine-3-carbaldehyde
CID 62654386
1-[3-(1-aminoethyl)piperidin-1-yl]-2-cyclopropylpropan-1-one;hydrochloride
CID 119594099
2-[3-(2-aminoethyl)piperidin-1-yl]-1-(azepan-1-yl)propan-1-one;hydrochloride
CID 120728309
2-[3-(1-aminoethyl)piperidin-1-yl]-N-butan-2-ylpropanamide;hydrochloride
CID 119925653

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-aminoethyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-[3-(1-aminoethyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one (CID 63845229) is 2-[3-(1-aminoethyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[3-(1-aminoethyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-[3-(1-aminoethyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one is CC(N)C1CCCN(C(C)C(=O)N2CCCC2)C1.
What is the InChIKey of 2-[3-(1-aminoethyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is VQJJRGOLRQZTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-11(15)13-6-5-9-17(10-13)12(2)14(18)16-7-3-4-8-16/h11-13H,3-10,15H2,1-2H3.
What are the key properties of 2-[3-(1-aminoethyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
2-[3-(1-aminoethyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 253.39 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-aminoethyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 63845229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).