methyl 1-[3-(1-quinolin-2-ylpiperidin-4-yl)oxypyrazin-2-yl]piperidine-4-carboxylate

C25H29N5O3 — CID 58547953

IUPACmethyl 1-[3-(1-quinolin-2-ylpiperidin-4-yl)oxypyrazin-2-yl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2nccnc2OC2CCN(c3ccc4ccccc4n3)CC2)CC1
InChIInChI=1S/C25H29N5O3/c1-32-25(31)19-8-14-30(15-9-19)23-24(27-13-12-26-23)33-20-10-16-29(17-11-20)22-7-6-18-4-2-3-5-21(18)28-22/h2-7,12-13,19-20H,8-11,14-17H2,1H3
InChIKeyNWYGSXQFWKOFOT-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.46
Rot. Bonds5

About methyl 1-[3-(1-quinolin-2-ylpiperidin-4-yl)oxypyrazin-2-yl]piperidine-4-carboxylate

methyl 1-[3-(1-quinolin-2-ylpiperidin-4-yl)oxypyrazin-2-yl]piperidine-4-carboxylate (PubChem CID 58547953) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is methyl 1-[3-(1-quinolin-2-ylpiperidin-4-yl)oxypyrazin-2-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-(1-quinolin-2-ylpiperidin-4-yl)oxypyrazin-2-yl]piperidine-4-carboxylate
PubChem CID58547953
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC Namemethyl 1-[3-(1-quinolin-2-ylpiperidin-4-yl)oxypyrazin-2-yl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2nccnc2OC2CCN(c3ccc4ccccc4n3)CC2)CC1
InChIInChI=1S/C25H29N5O3/c1-32-25(31)19-8-14-30(15-9-19)23-24(27-13-12-26-23)33-20-10-16-29(17-11-20)22-7-6-18-4-2-3-5-21(18)28-22/h2-7,12-13,19-20H,8-11,14-17H2,1H3
InChIKeyNWYGSXQFWKOFOT-UHFFFAOYSA-N
XLogP3.46
TPSA80.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-(1-quinolin-2-ylpiperidin-4-yl)oxypyrazin-2-yl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[3-(1-quinolin-2-ylpiperidin-4-yl)oxypyrazin-2-yl]piperidine-4-carboxylate (CID 58547953) is methyl 1-[3-(1-quinolin-2-ylpiperidin-4-yl)oxypyrazin-2-yl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[3-(1-quinolin-2-ylpiperidin-4-yl)oxypyrazin-2-yl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[3-(1-quinolin-2-ylpiperidin-4-yl)oxypyrazin-2-yl]piperidine-4-carboxylate is COC(=O)C1CCN(c2nccnc2OC2CCN(c3ccc4ccccc4n3)CC2)CC1.
What is the InChIKey of methyl 1-[3-(1-quinolin-2-ylpiperidin-4-yl)oxypyrazin-2-yl]piperidine-4-carboxylate?
The InChIKey is NWYGSXQFWKOFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-32-25(31)19-8-14-30(15-9-19)23-24(27-13-12-26-23)33-20-10-16-29(17-11-20)22-7-6-18-4-2-3-5-21(18)28-22/h2-7,12-13,19-20H,8-11,14-17H2,1H3.
What are the key properties of methyl 1-[3-(1-quinolin-2-ylpiperidin-4-yl)oxypyrazin-2-yl]piperidine-4-carboxylate?
methyl 1-[3-(1-quinolin-2-ylpiperidin-4-yl)oxypyrazin-2-yl]piperidine-4-carboxylate has a molecular weight of 447.54 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-(1-quinolin-2-ylpiperidin-4-yl)oxypyrazin-2-yl]piperidine-4-carboxylate is sourced from PubChem (CID 58547953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).