2-[4-[(6-chloropyrazin-2-yl)amino]piperidin-1-yl]-N-propylacetamide

C14H22ClN5O — CID 60567800

IUPAC2-[4-[(6-chloropyrazin-2-yl)amino]piperidin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCC(Nc2cncc(Cl)n2)CC1
InChIInChI=1S/C14H22ClN5O/c1-2-5-17-14(21)10-20-6-3-11(4-7-20)18-13-9-16-8-12(15)19-13/h8-9,11H,2-7,10H2,1H3,(H,17,21)(H,18,19)
InChIKeyNADGERFZSWXLDL-UHFFFAOYSA-N
MW311.82 g/mol
LogP1.53
Rot. Bonds6

About 2-[4-[(6-chloropyrazin-2-yl)amino]piperidin-1-yl]-N-propylacetamide

2-[4-[(6-chloropyrazin-2-yl)amino]piperidin-1-yl]-N-propylacetamide (PubChem CID 60567800) has the molecular formula C14H22ClN5O and a molecular weight of 311.82 g/mol. Its IUPAC name is 2-[4-[(6-chloropyrazin-2-yl)amino]piperidin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-[(6-chloropyrazin-2-yl)amino]piperidin-1-yl]-N-propylacetamide
PubChem CID60567800
Molecular FormulaC14H22ClN5O
Molecular Weight311.82 g/mol
Exact Mass311.15
IUPAC Name2-[4-[(6-chloropyrazin-2-yl)amino]piperidin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCC(Nc2cncc(Cl)n2)CC1
InChIInChI=1S/C14H22ClN5O/c1-2-5-17-14(21)10-20-6-3-11(4-7-20)18-13-9-16-8-12(15)19-13/h8-9,11H,2-7,10H2,1H3,(H,17,21)(H,18,19)
InChIKeyNADGERFZSWXLDL-UHFFFAOYSA-N
XLogP1.53
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.82
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-chloropyrazin-2-yl)amino]piperidin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-[(6-chloropyrazin-2-yl)amino]piperidin-1-yl]-N-propylacetamide (CID 60567800) is 2-[4-[(6-chloropyrazin-2-yl)amino]piperidin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-[(6-chloropyrazin-2-yl)amino]piperidin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-[(6-chloropyrazin-2-yl)amino]piperidin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCC(Nc2cncc(Cl)n2)CC1.
What is the InChIKey of 2-[4-[(6-chloropyrazin-2-yl)amino]piperidin-1-yl]-N-propylacetamide?
The InChIKey is NADGERFZSWXLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN5O/c1-2-5-17-14(21)10-20-6-3-11(4-7-20)18-13-9-16-8-12(15)19-13/h8-9,11H,2-7,10H2,1H3,(H,17,21)(H,18,19).
What are the key properties of 2-[4-[(6-chloropyrazin-2-yl)amino]piperidin-1-yl]-N-propylacetamide?
2-[4-[(6-chloropyrazin-2-yl)amino]piperidin-1-yl]-N-propylacetamide has a molecular weight of 311.82 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-chloropyrazin-2-yl)amino]piperidin-1-yl]-N-propylacetamide is sourced from PubChem (CID 60567800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).