2-(3-aminopiperidin-1-yl)-1-piperidin-1-ylpropan-1-one

C13H25N3O — CID 61297073

IUPAC2-(3-aminopiperidin-1-yl)-1-piperidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCCC1)N1CCCC(N)C1
InChIInChI=1S/C13H25N3O/c1-11(16-9-5-6-12(14)10-16)13(17)15-7-3-2-4-8-15/h11-12H,2-10,14H2,1H3
InChIKeyQBQNCWJVMPDTHF-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.81
Rot. Bonds2

About 2-(3-aminopiperidin-1-yl)-1-piperidin-1-ylpropan-1-one

2-(3-aminopiperidin-1-yl)-1-piperidin-1-ylpropan-1-one (PubChem CID 61297073) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-(3-aminopiperidin-1-yl)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(3-aminopiperidin-1-yl)-1-piperidin-1-ylpropan-1-one
PubChem CID61297073
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-(3-aminopiperidin-1-yl)-1-piperidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCCC1)N1CCCC(N)C1
InChIInChI=1S/C13H25N3O/c1-11(16-9-5-6-12(14)10-16)13(17)15-7-3-2-4-8-15/h11-12H,2-10,14H2,1H3
InChIKeyQBQNCWJVMPDTHF-UHFFFAOYSA-N
XLogP0.81
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-3-aminopiperidin-1-yl]-1-(azepan-1-yl)propan-1-one
CID 102977209
1-(azepan-1-yl)-2-(3-hydroxypiperidin-1-yl)propan-1-one
CID 60677400
2-[3-(2-aminoethyl)piperidin-1-yl]-1-(azepan-1-yl)propan-1-one;hydrochloride
CID 120728309
2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 55064381
2-[3-(1-aminoethyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 63845229
1-[1-(azepan-1-yl)-1-oxopropan-2-yl]piperidine-3-carbaldehyde
CID 62654386
1-piperidin-1-yl-2-[3-(propylaminomethyl)piperidin-1-yl]propan-1-one
CID 63848820
1-(azepan-1-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 78963692
(3S)-N-cyclopropyl-1-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperidine-3-carboxamide
CID 95104508
1-(azepan-1-yl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propan-1-one
CID 63854094
2-(3-acetylpiperidin-1-yl)-1-morpholin-4-ylpropan-1-one
CID 63847036
2-(4-amino-3-ethylpiperidin-1-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 81459438

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopiperidin-1-yl)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-(3-aminopiperidin-1-yl)-1-piperidin-1-ylpropan-1-one (CID 61297073) is 2-(3-aminopiperidin-1-yl)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(3-aminopiperidin-1-yl)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-(3-aminopiperidin-1-yl)-1-piperidin-1-ylpropan-1-one is CC(C(=O)N1CCCCC1)N1CCCC(N)C1.
What is the InChIKey of 2-(3-aminopiperidin-1-yl)-1-piperidin-1-ylpropan-1-one?
The InChIKey is QBQNCWJVMPDTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-11(16-9-5-6-12(14)10-16)13(17)15-7-3-2-4-8-15/h11-12H,2-10,14H2,1H3.
What are the key properties of 2-(3-aminopiperidin-1-yl)-1-piperidin-1-ylpropan-1-one?
2-(3-aminopiperidin-1-yl)-1-piperidin-1-ylpropan-1-one has a molecular weight of 239.36 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 2-(3-aminopiperidin-1-yl)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 61297073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).