1-[[1-(6-aminopyrazin-2-yl)piperidin-3-yl]methyl]pyrrolidin-2-one

C14H21N5O — CID 146041958

IUPAC1-[[1-(6-aminopyrazin-2-yl)piperidin-3-yl]methyl]pyrrolidin-2-one
SMILESNc1cncc(N2CCCC(CN3CCCC3=O)C2)n1
InChIInChI=1S/C14H21N5O/c15-12-7-16-8-13(17-12)18-5-1-3-11(9-18)10-19-6-2-4-14(19)20/h7-8,11H,1-6,9-10H2,(H2,15,17)
InChIKeyAKPGAHQEVNTYNH-UHFFFAOYSA-N
MW275.36 g/mol
LogP0.90
Rot. Bonds3

About 1-[[1-(6-aminopyrazin-2-yl)piperidin-3-yl]methyl]pyrrolidin-2-one

1-[[1-(6-aminopyrazin-2-yl)piperidin-3-yl]methyl]pyrrolidin-2-one (PubChem CID 146041958) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 1-[[1-(6-aminopyrazin-2-yl)piperidin-3-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[1-(6-aminopyrazin-2-yl)piperidin-3-yl]methyl]pyrrolidin-2-one
PubChem CID146041958
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name1-[[1-(6-aminopyrazin-2-yl)piperidin-3-yl]methyl]pyrrolidin-2-one
SMILESNc1cncc(N2CCCC(CN3CCCC3=O)C2)n1
InChIInChI=1S/C14H21N5O/c15-12-7-16-8-13(17-12)18-5-1-3-11(9-18)10-19-6-2-4-14(19)20/h7-8,11H,1-6,9-10H2,(H2,15,17)
InChIKeyAKPGAHQEVNTYNH-UHFFFAOYSA-N
XLogP0.90
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 78992314
6-[3-[(2-ethoxycycloheptyl)oxymethyl]piperidin-1-yl]pyrazin-2-amine
CID 156552017
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrazin-2-amine
CID 78954925
[1-(6-aminopyrazin-2-yl)pyrrolidin-3-yl]methanesulfonamide
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1-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]pyrrolidin-2-one
CID 125002978
1-[[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-3-yl]methyl]pyrrolidin-2-one
CID 46967162
6-(4-cyclopentylpiperazin-1-yl)pyrazin-2-amine
CID 78988801
[1-(6-aminopyrazin-2-yl)piperidin-4-yl]methanol
CID 78988791
4-(6-aminopyrazin-2-yl)-1-methyl-1,4-diazepan-2-one
CID 102846599
1-[[1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidin-3-yl]methyl]pyrrolidin-2-one
CID 46966806
3-[1-(6-methylpyrazin-2-yl)piperidin-3-yl]propanamide
CID 133469915
6-(3-methoxypyrrolidin-1-yl)pyrazin-2-amine
CID 103541702

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(6-aminopyrazin-2-yl)piperidin-3-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[1-(6-aminopyrazin-2-yl)piperidin-3-yl]methyl]pyrrolidin-2-one (CID 146041958) is 1-[[1-(6-aminopyrazin-2-yl)piperidin-3-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[1-(6-aminopyrazin-2-yl)piperidin-3-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[1-(6-aminopyrazin-2-yl)piperidin-3-yl]methyl]pyrrolidin-2-one is Nc1cncc(N2CCCC(CN3CCCC3=O)C2)n1.
What is the InChIKey of 1-[[1-(6-aminopyrazin-2-yl)piperidin-3-yl]methyl]pyrrolidin-2-one?
The InChIKey is AKPGAHQEVNTYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c15-12-7-16-8-13(17-12)18-5-1-3-11(9-18)10-19-6-2-4-14(19)20/h7-8,11H,1-6,9-10H2,(H2,15,17).
What are the key properties of 1-[[1-(6-aminopyrazin-2-yl)piperidin-3-yl]methyl]pyrrolidin-2-one?
1-[[1-(6-aminopyrazin-2-yl)piperidin-3-yl]methyl]pyrrolidin-2-one has a molecular weight of 275.36 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(6-aminopyrazin-2-yl)piperidin-3-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 146041958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).