3-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]amino]pyrazine-2-carbonitrile

C15H23N5O — CID 71864804

IUPAC3-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]amino]pyrazine-2-carbonitrile
SMILESCC(C)OCCN1CCC(Nc2nccnc2C#N)CC1
InChIInChI=1S/C15H23N5O/c1-12(2)21-10-9-20-7-3-13(4-8-20)19-15-14(11-16)17-5-6-18-15/h5-6,12-13H,3-4,7-10H2,1-2H3,(H,18,19)
InChIKeySJPNBCFILKHCSL-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.65
Rot. Bonds6

About 3-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]amino]pyrazine-2-carbonitrile

3-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]amino]pyrazine-2-carbonitrile (PubChem CID 71864804) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]amino]pyrazine-2-carbonitrile
PubChem CID71864804
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name3-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]amino]pyrazine-2-carbonitrile
SMILESCC(C)OCCN1CCC(Nc2nccnc2C#N)CC1
InChIInChI=1S/C15H23N5O/c1-12(2)21-10-9-20-7-3-13(4-8-20)19-15-14(11-16)17-5-6-18-15/h5-6,12-13H,3-4,7-10H2,1-2H3,(H,18,19)
InChIKeySJPNBCFILKHCSL-UHFFFAOYSA-N
XLogP1.65
TPSA74.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]amino]pyrazine-2-carbonitrile (CID 71864804) is 3-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]amino]pyrazine-2-carbonitrile is CC(C)OCCN1CCC(Nc2nccnc2C#N)CC1.
What is the InChIKey of 3-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is SJPNBCFILKHCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-12(2)21-10-9-20-7-3-13(4-8-20)19-15-14(11-16)17-5-6-18-15/h5-6,12-13H,3-4,7-10H2,1-2H3,(H,18,19).
What are the key properties of 3-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]amino]pyrazine-2-carbonitrile?
3-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 289.38 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 71864804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).