3-[(3R)-3-aminopiperidin-1-yl]-1-propylpyrazin-2-one

C12H20N4O — CID 102986648

IUPAC3-[(3R)-3-aminopiperidin-1-yl]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(N2CCC[C@@H](N)C2)c1=O
InChIInChI=1S/C12H20N4O/c1-2-6-15-8-5-14-11(12(15)17)16-7-3-4-10(13)9-16/h5,8,10H,2-4,6-7,9,13H2,1H3/t10-/m1/s1
InChIKeyXUAGECRDDWJPJG-SNVBAGLBSA-N
MW236.32 g/mol
LogP0.58
Rot. Bonds3

About 3-[(3R)-3-aminopiperidin-1-yl]-1-propylpyrazin-2-one

3-[(3R)-3-aminopiperidin-1-yl]-1-propylpyrazin-2-one (PubChem CID 102986648) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-[(3R)-3-aminopiperidin-1-yl]-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-[(3R)-3-aminopiperidin-1-yl]-1-propylpyrazin-2-one
PubChem CID102986648
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-[(3R)-3-aminopiperidin-1-yl]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(N2CCC[C@@H](N)C2)c1=O
InChIInChI=1S/C12H20N4O/c1-2-6-15-8-5-14-11(12(15)17)16-7-3-4-10(13)9-16/h5,8,10H,2-4,6-7,9,13H2,1H3/t10-/m1/s1
InChIKeyXUAGECRDDWJPJG-SNVBAGLBSA-N
XLogP0.58
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(3R)-3-aminopiperidin-1-yl]-1-propylpyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-aminopiperidin-1-yl)-1-propylpyrazin-2-one
CID 62939071
3-[(3R)-3-aminopiperidin-1-yl]-1-methylpyrazin-2-one
CID 94896992
3-(3-aminopyrrolidin-1-yl)-1-ethylpyrazin-2-one
CID 62928142
3-(4-amino-3-ethylpiperidin-1-yl)-1-propylpyrazin-2-one
CID 81459890
3-[3-(bromomethyl)pyrrolidin-1-yl]-1-propylpyrazin-2-one
CID 80680208
3-(3-chloropiperidin-1-yl)-1-ethylpyrazin-2-one
CID 63392087
3-[(3S)-3-aminopyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 94897001
3-(4-amino-2-methylpiperidin-1-yl)-1-propylpyrazin-2-one
CID 115313461
2-[1-(3-oxo-4-propylpyrazin-2-yl)azetidin-3-yl]acetic acid
CID 64618257
3-[4-(1-bromoethyl)piperidin-1-yl]-1-propylpyrazin-2-one
CID 106838619
3-piperazin-1-yl-1-propylpyrazin-2-one
CID 62938367
3-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-propylpyrazin-2-one
CID 102683989

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-aminopiperidin-1-yl]-1-propylpyrazin-2-one?
The IUPAC name of 3-[(3R)-3-aminopiperidin-1-yl]-1-propylpyrazin-2-one (CID 102986648) is 3-[(3R)-3-aminopiperidin-1-yl]-1-propylpyrazin-2-one.
What is the SMILES notation for 3-[(3R)-3-aminopiperidin-1-yl]-1-propylpyrazin-2-one?
The canonical SMILES for 3-[(3R)-3-aminopiperidin-1-yl]-1-propylpyrazin-2-one is CCCn1ccnc(N2CCC[C@@H](N)C2)c1=O.
What is the InChIKey of 3-[(3R)-3-aminopiperidin-1-yl]-1-propylpyrazin-2-one?
The InChIKey is XUAGECRDDWJPJG-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-6-15-8-5-14-11(12(15)17)16-7-3-4-10(13)9-16/h5,8,10H,2-4,6-7,9,13H2,1H3/t10-/m1/s1.
What are the key properties of 3-[(3R)-3-aminopiperidin-1-yl]-1-propylpyrazin-2-one?
3-[(3R)-3-aminopiperidin-1-yl]-1-propylpyrazin-2-one has a molecular weight of 236.32 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-aminopiperidin-1-yl]-1-propylpyrazin-2-one is sourced from PubChem (CID 102986648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).