1-[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-1,3,3-trimethylurea

C14H19ClN6O — CID 118114934

IUPAC1-[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-1,3,3-trimethylurea
SMILESCN(C)C(=O)N(C)C1CCCN(c2cnc(C#N)c(Cl)n2)C1
InChIInChI=1S/C14H19ClN6O/c1-19(2)14(22)20(3)10-5-4-6-21(9-10)12-8-17-11(7-16)13(15)18-12/h8,10H,4-6,9H2,1-3H3
InChIKeyDUZDGZLAMZYSLL-UHFFFAOYSA-N
MW322.80 g/mol
LogP1.58
Rot. Bonds2

About 1-[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-1,3,3-trimethylurea

1-[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-1,3,3-trimethylurea (PubChem CID 118114934) has the molecular formula C14H19ClN6O and a molecular weight of 322.80 g/mol. Its IUPAC name is 1-[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-1,3,3-trimethylurea.

Molecular Properties

Compound Name1-[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-1,3,3-trimethylurea
PubChem CID118114934
Molecular FormulaC14H19ClN6O
Molecular Weight322.80 g/mol
Exact Mass322.13
IUPAC Name1-[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-1,3,3-trimethylurea
SMILESCN(C)C(=O)N(C)C1CCCN(c2cnc(C#N)c(Cl)n2)C1
InChIInChI=1S/C14H19ClN6O/c1-19(2)14(22)20(3)10-5-4-6-21(9-10)12-8-17-11(7-16)13(15)18-12/h8,10H,4-6,9H2,1-3H3
InChIKeyDUZDGZLAMZYSLL-UHFFFAOYSA-N
XLogP1.58
TPSA76.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-1,3,3-trimethylurea?
The IUPAC name of 1-[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-1,3,3-trimethylurea (CID 118114934) is 1-[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-1,3,3-trimethylurea.
What is the SMILES notation for 1-[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-1,3,3-trimethylurea?
The canonical SMILES for 1-[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-1,3,3-trimethylurea is CN(C)C(=O)N(C)C1CCCN(c2cnc(C#N)c(Cl)n2)C1.
What is the InChIKey of 1-[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-1,3,3-trimethylurea?
The InChIKey is DUZDGZLAMZYSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN6O/c1-19(2)14(22)20(3)10-5-4-6-21(9-10)12-8-17-11(7-16)13(15)18-12/h8,10H,4-6,9H2,1-3H3.
What are the key properties of 1-[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-1,3,3-trimethylurea?
1-[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-1,3,3-trimethylurea has a molecular weight of 322.80 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-1,3,3-trimethylurea is sourced from PubChem (CID 118114934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).