(5S)-5-[(3R)-3-pyrazin-2-yloxypiperidine-1-carbonyl]pyrrolidin-2-one

C14H18N4O3 — CID 100644338

IUPAC(5S)-5-[(3R)-3-pyrazin-2-yloxypiperidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CC[C@@H](C(=O)N2CCC[C@@H](Oc3cnccn3)C2)N1
InChIInChI=1S/C14H18N4O3/c19-12-4-3-11(17-12)14(20)18-7-1-2-10(9-18)21-13-8-15-5-6-16-13/h5-6,8,10-11H,1-4,7,9H2,(H,17,19)/t10-,11+/m1/s1
InChIKeyBANLALAERFVSOM-MNOVXSKESA-N
MW290.32 g/mol
LogP0.12
Rot. Bonds3

About (5S)-5-[(3R)-3-pyrazin-2-yloxypiperidine-1-carbonyl]pyrrolidin-2-one

(5S)-5-[(3R)-3-pyrazin-2-yloxypiperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 100644338) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is (5S)-5-[(3R)-3-pyrazin-2-yloxypiperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[(3R)-3-pyrazin-2-yloxypiperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID100644338
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name(5S)-5-[(3R)-3-pyrazin-2-yloxypiperidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CC[C@@H](C(=O)N2CCC[C@@H](Oc3cnccn3)C2)N1
InChIInChI=1S/C14H18N4O3/c19-12-4-3-11(17-12)14(20)18-7-1-2-10(9-18)21-13-8-15-5-6-16-13/h5-6,8,10-11H,1-4,7,9H2,(H,17,19)/t10-,11+/m1/s1
InChIKeyBANLALAERFVSOM-MNOVXSKESA-N
XLogP0.12
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-pyridin-4-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 122255655
5-[3-(5-chloropyrimidin-2-yl)oxypiperidine-1-carbonyl]pyrrolidin-2-one
CID 122259236
1-[(3S)-3-pyrazin-2-yloxypiperidine-1-carbonyl]imidazolidin-2-one
CID 100647916
tert-butyl 3-pyrazin-2-yloxypiperidine-1-carboxylate
CID 24902489
3-pyrazin-2-yloxypyrrolidine-1-carboxylic acid
CID 134496966
(5S)-5-[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 100615889
[(3R)-3,4-dihydro-1H-isochromen-3-yl]-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]methanone
CID 100647150
(4-methylthiadiazol-5-yl)-(3-pyrazin-2-yloxypiperidin-1-yl)methanone
CID 91627868
1H-indol-2-yl-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]methanone
CID 100644461
cyclohex-3-en-1-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 91626673
5-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 121161754
2-(3-methoxyphenoxy)-1-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]ethanone
CID 100645154

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(3R)-3-pyrazin-2-yloxypiperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[(3R)-3-pyrazin-2-yloxypiperidine-1-carbonyl]pyrrolidin-2-one (CID 100644338) is (5S)-5-[(3R)-3-pyrazin-2-yloxypiperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[(3R)-3-pyrazin-2-yloxypiperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[(3R)-3-pyrazin-2-yloxypiperidine-1-carbonyl]pyrrolidin-2-one is O=C1CC[C@@H](C(=O)N2CCC[C@@H](Oc3cnccn3)C2)N1.
What is the InChIKey of (5S)-5-[(3R)-3-pyrazin-2-yloxypiperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is BANLALAERFVSOM-MNOVXSKESA-N. The full InChI is InChI=1S/C14H18N4O3/c19-12-4-3-11(17-12)14(20)18-7-1-2-10(9-18)21-13-8-15-5-6-16-13/h5-6,8,10-11H,1-4,7,9H2,(H,17,19)/t10-,11+/m1/s1.
What are the key properties of (5S)-5-[(3R)-3-pyrazin-2-yloxypiperidine-1-carbonyl]pyrrolidin-2-one?
(5S)-5-[(3R)-3-pyrazin-2-yloxypiperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 290.32 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(3R)-3-pyrazin-2-yloxypiperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 100644338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).