1-(4-aminopiperidin-1-yl)-3-(2-methoxypyrimidin-5-yl)propan-1-one

C13H20N4O2 — CID 110475221

IUPAC1-(4-aminopiperidin-1-yl)-3-(2-methoxypyrimidin-5-yl)propan-1-one
SMILESCOc1ncc(CCC(=O)N2CCC(N)CC2)cn1
InChIInChI=1S/C13H20N4O2/c1-19-13-15-8-10(9-16-13)2-3-12(18)17-6-4-11(14)5-7-17/h8-9,11H,2-7,14H2,1H3
InChIKeyXIIWYHGMBHLJJF-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.37
Rot. Bonds4

About 1-(4-aminopiperidin-1-yl)-3-(2-methoxypyrimidin-5-yl)propan-1-one

1-(4-aminopiperidin-1-yl)-3-(2-methoxypyrimidin-5-yl)propan-1-one (PubChem CID 110475221) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-3-(2-methoxypyrimidin-5-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-3-(2-methoxypyrimidin-5-yl)propan-1-one
PubChem CID110475221
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1-(4-aminopiperidin-1-yl)-3-(2-methoxypyrimidin-5-yl)propan-1-one
SMILESCOc1ncc(CCC(=O)N2CCC(N)CC2)cn1
InChIInChI=1S/C13H20N4O2/c1-19-13-15-8-10(9-16-13)2-3-12(18)17-6-4-11(14)5-7-17/h8-9,11H,2-7,14H2,1H3
InChIKeyXIIWYHGMBHLJJF-UHFFFAOYSA-N
XLogP0.37
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-aminopiperidin-1-yl)-3-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 119373451
1-(4-aminopiperidin-1-yl)-3-(4-ethylphenyl)propan-1-one;hydrochloride
CID 119374555
1-(4-aminopiperidin-1-yl)-3-(3-fluoro-4-methoxyphenyl)propan-1-one;hydrochloride
CID 119373450
[5-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]pyrimidin-2-yl] carbamate
CID 21102009
1-[(3S)-3-aminopyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one;hydrochloride
CID 119934448
1-[(3R)-3-aminopyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 119412755
1-(4-aminopiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 82042591
3-(4-methoxyphenyl)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one
CID 90558759
1-(4-aminopiperidin-1-yl)-4-(4-methoxyphenyl)butane-1,4-dione;hydrochloride
CID 119374647
1-(3-aminopyrrolidin-1-yl)-3-(4-methylphenyl)propan-1-one;hydrochloride
CID 119482522
1-[(3S)-3-aminopyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one;dihydrochloride
CID 119934303
3-(3,5-dimethoxyphenyl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 119560882

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-3-(2-methoxypyrimidin-5-yl)propan-1-one?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-3-(2-methoxypyrimidin-5-yl)propan-1-one (CID 110475221) is 1-(4-aminopiperidin-1-yl)-3-(2-methoxypyrimidin-5-yl)propan-1-one.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-3-(2-methoxypyrimidin-5-yl)propan-1-one?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-3-(2-methoxypyrimidin-5-yl)propan-1-one is COc1ncc(CCC(=O)N2CCC(N)CC2)cn1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-3-(2-methoxypyrimidin-5-yl)propan-1-one?
The InChIKey is XIIWYHGMBHLJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-19-13-15-8-10(9-16-13)2-3-12(18)17-6-4-11(14)5-7-17/h8-9,11H,2-7,14H2,1H3.
What are the key properties of 1-(4-aminopiperidin-1-yl)-3-(2-methoxypyrimidin-5-yl)propan-1-one?
1-(4-aminopiperidin-1-yl)-3-(2-methoxypyrimidin-5-yl)propan-1-one has a molecular weight of 264.33 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-3-(2-methoxypyrimidin-5-yl)propan-1-one is sourced from PubChem (CID 110475221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).