3-[(3R)-1-[2-(3-methylphenoxy)acetyl]piperidin-3-yl]oxypyrazine-2-carbonitrile

C19H20N4O3 — CID 100649641

IUPAC3-[(3R)-1-[2-(3-methylphenoxy)acetyl]piperidin-3-yl]oxypyrazine-2-carbonitrile
SMILESCc1cccc(OCC(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)c1
InChIInChI=1S/C19H20N4O3/c1-14-4-2-5-15(10-14)25-13-18(24)23-9-3-6-16(12-23)26-19-17(11-20)21-7-8-22-19/h2,4-5,7-8,10,16H,3,6,9,12-13H2,1H3/t16-/m1/s1
InChIKeyUQFIEALDDVDPRG-MRXNPFEDSA-N
MW352.39 g/mol
LogP2.11
Rot. Bonds5

About 3-[(3R)-1-[2-(3-methylphenoxy)acetyl]piperidin-3-yl]oxypyrazine-2-carbonitrile

3-[(3R)-1-[2-(3-methylphenoxy)acetyl]piperidin-3-yl]oxypyrazine-2-carbonitrile (PubChem CID 100649641) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 3-[(3R)-1-[2-(3-methylphenoxy)acetyl]piperidin-3-yl]oxypyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[(3R)-1-[2-(3-methylphenoxy)acetyl]piperidin-3-yl]oxypyrazine-2-carbonitrile
PubChem CID100649641
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name3-[(3R)-1-[2-(3-methylphenoxy)acetyl]piperidin-3-yl]oxypyrazine-2-carbonitrile
SMILESCc1cccc(OCC(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)c1
InChIInChI=1S/C19H20N4O3/c1-14-4-2-5-15(10-14)25-13-18(24)23-9-3-6-16(12-23)26-19-17(11-20)21-7-8-22-19/h2,4-5,7-8,10,16H,3,6,9,12-13H2,1H3/t16-/m1/s1
InChIKeyUQFIEALDDVDPRG-MRXNPFEDSA-N
XLogP2.11
TPSA88.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3S)-1-[2-(3-methylphenoxy)acetyl]piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 100649655
3-[1-[2-(3-methylphenyl)acetyl]piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 91627990
3-[(3S)-1-[2-(3-methylphenyl)acetyl]piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 100649784
2-(3-methylphenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255771
3-[(3R)-1-[2-[3-(trifluoromethyl)phenoxy]acetyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 100755791
3-[1-[3-(3-methylphenyl)propanoyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636679
4-[1-[2-(3-methylphenoxy)acetyl]piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256758
3-[1-(2-pyrrol-1-ylacetyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 91628030
3-[1-(4-chlorobutanoyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 117054781
3-[(3S)-1-(3-cyanobenzoyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 100650587
3-(1-propanoylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile
CID 90636478
3-[1-(2-thiophen-3-ylacetyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 91628045

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-[2-(3-methylphenoxy)acetyl]piperidin-3-yl]oxypyrazine-2-carbonitrile?
The IUPAC name of 3-[(3R)-1-[2-(3-methylphenoxy)acetyl]piperidin-3-yl]oxypyrazine-2-carbonitrile (CID 100649641) is 3-[(3R)-1-[2-(3-methylphenoxy)acetyl]piperidin-3-yl]oxypyrazine-2-carbonitrile.
What is the SMILES notation for 3-[(3R)-1-[2-(3-methylphenoxy)acetyl]piperidin-3-yl]oxypyrazine-2-carbonitrile?
The canonical SMILES for 3-[(3R)-1-[2-(3-methylphenoxy)acetyl]piperidin-3-yl]oxypyrazine-2-carbonitrile is Cc1cccc(OCC(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)c1.
What is the InChIKey of 3-[(3R)-1-[2-(3-methylphenoxy)acetyl]piperidin-3-yl]oxypyrazine-2-carbonitrile?
The InChIKey is UQFIEALDDVDPRG-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-14-4-2-5-15(10-14)25-13-18(24)23-9-3-6-16(12-23)26-19-17(11-20)21-7-8-22-19/h2,4-5,7-8,10,16H,3,6,9,12-13H2,1H3/t16-/m1/s1.
What are the key properties of 3-[(3R)-1-[2-(3-methylphenoxy)acetyl]piperidin-3-yl]oxypyrazine-2-carbonitrile?
3-[(3R)-1-[2-(3-methylphenoxy)acetyl]piperidin-3-yl]oxypyrazine-2-carbonitrile has a molecular weight of 352.39 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-[2-(3-methylphenoxy)acetyl]piperidin-3-yl]oxypyrazine-2-carbonitrile is sourced from PubChem (CID 100649641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).