5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrazine-2-carbonitrile

C16H21N5O — CID 133291219

IUPAC5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N2CCC(CC(=O)N3CCCC3)CC2)cn1
InChIInChI=1S/C16H21N5O/c17-10-14-11-19-15(12-18-14)20-7-3-13(4-8-20)9-16(22)21-5-1-2-6-21/h11-13H,1-9H2
InChIKeyCSTFOIIIAVLGKL-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.58
Rot. Bonds3

About 5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrazine-2-carbonitrile

5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrazine-2-carbonitrile (PubChem CID 133291219) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrazine-2-carbonitrile
PubChem CID133291219
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N2CCC(CC(=O)N3CCCC3)CC2)cn1
InChIInChI=1S/C16H21N5O/c17-10-14-11-19-15(12-18-14)20-7-3-13(4-8-20)9-16(22)21-5-1-2-6-21/h11-13H,1-9H2
InChIKeyCSTFOIIIAVLGKL-UHFFFAOYSA-N
XLogP1.58
TPSA73.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrazine-2-carbonitrile (CID 133291219) is 5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrazine-2-carbonitrile is N#Cc1cnc(N2CCC(CC(=O)N3CCCC3)CC2)cn1.
What is the InChIKey of 5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is CSTFOIIIAVLGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c17-10-14-11-19-15(12-18-14)20-7-3-13(4-8-20)9-16(22)21-5-1-2-6-21/h11-13H,1-9H2.
What are the key properties of 5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrazine-2-carbonitrile?
5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 299.38 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 133291219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).