3-[1-(2-pyrrol-1-ylacetyl)piperidin-3-yl]oxypyrazine-2-carbonitrile

C16H17N5O2 — CID 91628030

IUPAC3-[1-(2-pyrrol-1-ylacetyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
SMILESN#Cc1nccnc1OC1CCCN(C(=O)Cn2cccc2)C1
InChIInChI=1S/C16H17N5O2/c17-10-14-16(19-6-5-18-14)23-13-4-3-9-21(11-13)15(22)12-20-7-1-2-8-20/h1-2,5-8,13H,3-4,9,11-12H2
InChIKeyHISKCLOMHZHUQO-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.22
Rot. Bonds4

About 3-[1-(2-pyrrol-1-ylacetyl)piperidin-3-yl]oxypyrazine-2-carbonitrile

3-[1-(2-pyrrol-1-ylacetyl)piperidin-3-yl]oxypyrazine-2-carbonitrile (PubChem CID 91628030) has the molecular formula C16H17N5O2 and a molecular weight of 311.34 g/mol. Its IUPAC name is 3-[1-(2-pyrrol-1-ylacetyl)piperidin-3-yl]oxypyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[1-(2-pyrrol-1-ylacetyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
PubChem CID91628030
Molecular FormulaC16H17N5O2
Molecular Weight311.34 g/mol
Exact Mass311.14
IUPAC Name3-[1-(2-pyrrol-1-ylacetyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
SMILESN#Cc1nccnc1OC1CCCN(C(=O)Cn2cccc2)C1
InChIInChI=1S/C16H17N5O2/c17-10-14-16(19-6-5-18-14)23-13-4-3-9-21(11-13)15(22)12-20-7-1-2-8-20/h1-2,5-8,13H,3-4,9,11-12H2
InChIKeyHISKCLOMHZHUQO-UHFFFAOYSA-N
XLogP1.22
TPSA84.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-(4-chlorobutanoyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 117054781
3-(1-propanoylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile
CID 90636478
1-(3-pyridin-4-yloxypiperidin-1-yl)-2-pyrrol-1-ylethanone
CID 122255870
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
3-[1-(2-thiophen-3-ylacetyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 91628045
3-[(3R)-1-[2-(3-methylphenoxy)acetyl]piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 100649641
3-[(3S)-1-[2-(3-methylphenoxy)acetyl]piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 100649655
3-(1-butanoylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile
CID 90636477
3-[(3S)-1-(3-cyanobenzoyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 100650587
3-[1-(4-oxo-4-phenylbutanoyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636451
3-[(3S)-1-(5-chlorothiophene-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 100650696

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-pyrrol-1-ylacetyl)piperidin-3-yl]oxypyrazine-2-carbonitrile?
The IUPAC name of 3-[1-(2-pyrrol-1-ylacetyl)piperidin-3-yl]oxypyrazine-2-carbonitrile (CID 91628030) is 3-[1-(2-pyrrol-1-ylacetyl)piperidin-3-yl]oxypyrazine-2-carbonitrile.
What is the SMILES notation for 3-[1-(2-pyrrol-1-ylacetyl)piperidin-3-yl]oxypyrazine-2-carbonitrile?
The canonical SMILES for 3-[1-(2-pyrrol-1-ylacetyl)piperidin-3-yl]oxypyrazine-2-carbonitrile is N#Cc1nccnc1OC1CCCN(C(=O)Cn2cccc2)C1.
What is the InChIKey of 3-[1-(2-pyrrol-1-ylacetyl)piperidin-3-yl]oxypyrazine-2-carbonitrile?
The InChIKey is HISKCLOMHZHUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c17-10-14-16(19-6-5-18-14)23-13-4-3-9-21(11-13)15(22)12-20-7-1-2-8-20/h1-2,5-8,13H,3-4,9,11-12H2.
What are the key properties of 3-[1-(2-pyrrol-1-ylacetyl)piperidin-3-yl]oxypyrazine-2-carbonitrile?
3-[1-(2-pyrrol-1-ylacetyl)piperidin-3-yl]oxypyrazine-2-carbonitrile has a molecular weight of 311.34 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-pyrrol-1-ylacetyl)piperidin-3-yl]oxypyrazine-2-carbonitrile is sourced from PubChem (CID 91628030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).