4-amino-1-(3-pyridin-3-ylpropanoyl)piperidin-2-one

C13H17N3O2 — CID 112534643

IUPAC4-amino-1-(3-pyridin-3-ylpropanoyl)piperidin-2-one
SMILESNC1CCN(C(=O)CCc2cccnc2)C(=O)C1
InChIInChI=1S/C13H17N3O2/c14-11-5-7-16(13(18)8-11)12(17)4-3-10-2-1-6-15-9-10/h1-2,6,9,11H,3-5,7-8,14H2
InChIKeySOPIQYWNZIUCKH-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.49
Rot. Bonds3

About 4-amino-1-(3-pyridin-3-ylpropanoyl)piperidin-2-one

4-amino-1-(3-pyridin-3-ylpropanoyl)piperidin-2-one (PubChem CID 112534643) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-amino-1-(3-pyridin-3-ylpropanoyl)piperidin-2-one.

Molecular Properties

Compound Name4-amino-1-(3-pyridin-3-ylpropanoyl)piperidin-2-one
PubChem CID112534643
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name4-amino-1-(3-pyridin-3-ylpropanoyl)piperidin-2-one
SMILESNC1CCN(C(=O)CCc2cccnc2)C(=O)C1
InChIInChI=1S/C13H17N3O2/c14-11-5-7-16(13(18)8-11)12(17)4-3-10-2-1-6-15-9-10/h1-2,6,9,11H,3-5,7-8,14H2
InChIKeySOPIQYWNZIUCKH-UHFFFAOYSA-N
XLogP0.49
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-(3-phenylpropanoyl)pyrrolidin-2-one
CID 112534759
1-[4-(methylamino)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 175657779
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 115746441
3-pyridin-3-yl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one
CID 118778975
1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxylic acid
CID 43356028
1-[(3R)-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 95326480
1-[5-(aminomethyl)-2-methylpiperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 114289980
1-[(3S)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]pyrrolidin-2-one
CID 99116117
1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-3-pyridin-3-ylpropan-1-one
CID 115276545
1-[3-(methylaminomethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 78981202
4-[[1-(3-pyridin-3-ylpropanoyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 70736736
1-[3-(1-aminoethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 81487520

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-pyridin-3-ylpropanoyl)piperidin-2-one?
The IUPAC name of 4-amino-1-(3-pyridin-3-ylpropanoyl)piperidin-2-one (CID 112534643) is 4-amino-1-(3-pyridin-3-ylpropanoyl)piperidin-2-one.
What is the SMILES notation for 4-amino-1-(3-pyridin-3-ylpropanoyl)piperidin-2-one?
The canonical SMILES for 4-amino-1-(3-pyridin-3-ylpropanoyl)piperidin-2-one is NC1CCN(C(=O)CCc2cccnc2)C(=O)C1.
What is the InChIKey of 4-amino-1-(3-pyridin-3-ylpropanoyl)piperidin-2-one?
The InChIKey is SOPIQYWNZIUCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c14-11-5-7-16(13(18)8-11)12(17)4-3-10-2-1-6-15-9-10/h1-2,6,9,11H,3-5,7-8,14H2.
What are the key properties of 4-amino-1-(3-pyridin-3-ylpropanoyl)piperidin-2-one?
4-amino-1-(3-pyridin-3-ylpropanoyl)piperidin-2-one has a molecular weight of 247.30 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-pyridin-3-ylpropanoyl)piperidin-2-one is sourced from PubChem (CID 112534643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).