1-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-4-phenylbutan-1-one

C20H26N4O2 — CID 91914168

IUPAC1-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-4-phenylbutan-1-one
SMILESCN(C)c1nccnc1OC1CCN(C(=O)CCCc2ccccc2)C1
InChIInChI=1S/C20H26N4O2/c1-23(2)19-20(22-13-12-21-19)26-17-11-14-24(15-17)18(25)10-6-9-16-7-4-3-5-8-16/h3-5,7-8,12-13,17H,6,9-11,14-15H2,1-2H3
InChIKeyRLIHZBMEQLFJLV-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.55
Rot. Bonds7

About 1-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-4-phenylbutan-1-one

1-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-4-phenylbutan-1-one (PubChem CID 91914168) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-4-phenylbutan-1-one.

Molecular Properties

Compound Name1-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-4-phenylbutan-1-one
PubChem CID91914168
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name1-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-4-phenylbutan-1-one
SMILESCN(C)c1nccnc1OC1CCN(C(=O)CCCc2ccccc2)C1
InChIInChI=1S/C20H26N4O2/c1-23(2)19-20(22-13-12-21-19)26-17-11-14-24(15-17)18(25)10-6-9-16-7-4-3-5-8-16/h3-5,7-8,12-13,17H,6,9-11,14-15H2,1-2H3
InChIKeyRLIHZBMEQLFJLV-UHFFFAOYSA-N
XLogP2.55
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-4-phenylbutan-1-one?
The IUPAC name of 1-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-4-phenylbutan-1-one (CID 91914168) is 1-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-4-phenylbutan-1-one.
What is the SMILES notation for 1-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-4-phenylbutan-1-one?
The canonical SMILES for 1-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-4-phenylbutan-1-one is CN(C)c1nccnc1OC1CCN(C(=O)CCCc2ccccc2)C1.
What is the InChIKey of 1-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-4-phenylbutan-1-one?
The InChIKey is RLIHZBMEQLFJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-23(2)19-20(22-13-12-21-19)26-17-11-14-24(15-17)18(25)10-6-9-16-7-4-3-5-8-16/h3-5,7-8,12-13,17H,6,9-11,14-15H2,1-2H3.
What are the key properties of 1-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-4-phenylbutan-1-one?
1-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-4-phenylbutan-1-one has a molecular weight of 354.45 g/mol, XLogP of 2.55, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-4-phenylbutan-1-one is sourced from PubChem (CID 91914168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).