1-[3-[4-(2-pyrazin-2-ylethylamino)piperidin-1-yl]phenyl]pyrrolidin-2-one

C21H27N5O — CID 31161169

IUPAC1-[3-[4-(2-pyrazin-2-ylethylamino)piperidin-1-yl]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1cccc(N2CCC(NCCc3cnccn3)CC2)c1
InChIInChI=1S/C21H27N5O/c27-21-5-2-12-26(21)20-4-1-3-19(15-20)25-13-7-17(8-14-25)23-9-6-18-16-22-10-11-24-18/h1,3-4,10-11,15-17,23H,2,5-9,12-14H2
InChIKeyGIYKFCNRFKSJEP-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.40
Rot. Bonds6

About 1-[3-[4-(2-pyrazin-2-ylethylamino)piperidin-1-yl]phenyl]pyrrolidin-2-one

1-[3-[4-(2-pyrazin-2-ylethylamino)piperidin-1-yl]phenyl]pyrrolidin-2-one (PubChem CID 31161169) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-[3-[4-(2-pyrazin-2-ylethylamino)piperidin-1-yl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[4-(2-pyrazin-2-ylethylamino)piperidin-1-yl]phenyl]pyrrolidin-2-one
PubChem CID31161169
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name1-[3-[4-(2-pyrazin-2-ylethylamino)piperidin-1-yl]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1cccc(N2CCC(NCCc3cnccn3)CC2)c1
InChIInChI=1S/C21H27N5O/c27-21-5-2-12-26(21)20-4-1-3-19(15-20)25-13-7-17(8-14-25)23-9-6-18-16-22-10-11-24-18/h1,3-4,10-11,15-17,23H,2,5-9,12-14H2
InChIKeyGIYKFCNRFKSJEP-UHFFFAOYSA-N
XLogP2.40
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethylamino]piperidin-1-yl]phenyl]pyrrolidin-2-one
CID 30936494
1-phenyl-N-(2-pyridin-2-ylethyl)piperidin-4-amine
CID 103775425
2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(1-phenylpiperidin-4-yl)acetamide
CID 86828694
1-methyl-3-[4-[4-(2-pyridin-2-ylethylamino)piperidin-1-yl]phenyl]imidazolidin-2-one
CID 31054711
1-[3-(cyclopropylamino)phenyl]pyrrolidin-2-one
CID 103438856
1-[3-[4-[2-[(4-methyl-2-pyridinyl)amino]ethylamino]piperidin-1-yl]phenyl]imidazolidin-2-one
CID 28737781
N-cyclooctyl-3-(2-oxopyrrolidin-1-yl)benzamide
CID 4229482
1-[4-[[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]amino]methyl]phenyl]pyrrolidin-2-one
CID 72903842
1-[3-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one
CID 119561650
N-cyclooctyl-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 18106196
1-[3-[3-(2-oxopyrrolidin-1-yl)phenoxy]phenyl]pyrrolidin-2-one
CID 142760205
1-pyridin-2-yl-N-(2-pyridin-2-ylethyl)piperidin-4-amine
CID 43761318

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2-pyrazin-2-ylethylamino)piperidin-1-yl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[4-(2-pyrazin-2-ylethylamino)piperidin-1-yl]phenyl]pyrrolidin-2-one (CID 31161169) is 1-[3-[4-(2-pyrazin-2-ylethylamino)piperidin-1-yl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[4-(2-pyrazin-2-ylethylamino)piperidin-1-yl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[4-(2-pyrazin-2-ylethylamino)piperidin-1-yl]phenyl]pyrrolidin-2-one is O=C1CCCN1c1cccc(N2CCC(NCCc3cnccn3)CC2)c1.
What is the InChIKey of 1-[3-[4-(2-pyrazin-2-ylethylamino)piperidin-1-yl]phenyl]pyrrolidin-2-one?
The InChIKey is GIYKFCNRFKSJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c27-21-5-2-12-26(21)20-4-1-3-19(15-20)25-13-7-17(8-14-25)23-9-6-18-16-22-10-11-24-18/h1,3-4,10-11,15-17,23H,2,5-9,12-14H2.
What are the key properties of 1-[3-[4-(2-pyrazin-2-ylethylamino)piperidin-1-yl]phenyl]pyrrolidin-2-one?
1-[3-[4-(2-pyrazin-2-ylethylamino)piperidin-1-yl]phenyl]pyrrolidin-2-one has a molecular weight of 365.48 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2-pyrazin-2-ylethylamino)piperidin-1-yl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 31161169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).