6-[4-(2-chlorophenoxy)piperidin-1-yl]pyrazine-2-carboxamide

C16H17ClN4O2 — CID 133391003

IUPAC6-[4-(2-chlorophenoxy)piperidin-1-yl]pyrazine-2-carboxamide
SMILESNC(=O)c1cncc(N2CCC(Oc3ccccc3Cl)CC2)n1
InChIInChI=1S/C16H17ClN4O2/c17-12-3-1-2-4-14(12)23-11-5-7-21(8-6-11)15-10-19-9-13(20-15)16(18)22/h1-4,9-11H,5-8H2,(H2,18,22)
InChIKeyUBULOQJLZHVNHI-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.28
Rot. Bonds4

About 6-[4-(2-chlorophenoxy)piperidin-1-yl]pyrazine-2-carboxamide

6-[4-(2-chlorophenoxy)piperidin-1-yl]pyrazine-2-carboxamide (PubChem CID 133391003) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is 6-[4-(2-chlorophenoxy)piperidin-1-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[4-(2-chlorophenoxy)piperidin-1-yl]pyrazine-2-carboxamide
PubChem CID133391003
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC Name6-[4-(2-chlorophenoxy)piperidin-1-yl]pyrazine-2-carboxamide
SMILESNC(=O)c1cncc(N2CCC(Oc3ccccc3Cl)CC2)n1
InChIInChI=1S/C16H17ClN4O2/c17-12-3-1-2-4-14(12)23-11-5-7-21(8-6-11)15-10-19-9-13(20-15)16(18)22/h1-4,9-11H,5-8H2,(H2,18,22)
InChIKeyUBULOQJLZHVNHI-UHFFFAOYSA-N
XLogP2.28
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(4-fluorophenoxy)piperidin-1-yl]pyrazine-2-carboxamide
CID 133345869
6-[4-(phenylcarbamoyl)piperidin-1-yl]pyrazine-2-carboxamide
CID 133358652
6-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]pyrazine-2-carboxamide
CID 71976874
2-[4-(2-chlorophenoxy)piperidin-1-yl]-2-oxoacetamide
CID 66875568
3-[4-(2-chlorophenoxy)piperidin-1-yl]-6-pyridin-3-ylpyridazine
CID 16733177
6-[(3S)-3-(2-chlorophenoxy)piperidin-1-yl]pyridazine-3-carboxamide
CID 99857964
2-[4-(2-chlorophenoxy)piperidin-1-yl]-6-(trifluoromethyl)pyridine
CID 133390966
6-[4-(2-chlorophenoxy)piperidin-1-yl]pyridine-3-carbonitrile
CID 133391014
[4-(2-chlorophenoxy)piperidin-1-yl]-(oxiran-2-yl)methanone
CID 154879916
(1-benzoylpiperidin-4-yl)-[4-(2-chlorophenoxy)piperidin-1-yl]methanone
CID 91800796
6-[4-(3-chlorobenzoyl)piperazin-1-yl]pyrazine-2-carboxamide
CID 133335007
[6-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 135115714

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-chlorophenoxy)piperidin-1-yl]pyrazine-2-carboxamide?
The IUPAC name of 6-[4-(2-chlorophenoxy)piperidin-1-yl]pyrazine-2-carboxamide (CID 133391003) is 6-[4-(2-chlorophenoxy)piperidin-1-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-[4-(2-chlorophenoxy)piperidin-1-yl]pyrazine-2-carboxamide?
The canonical SMILES for 6-[4-(2-chlorophenoxy)piperidin-1-yl]pyrazine-2-carboxamide is NC(=O)c1cncc(N2CCC(Oc3ccccc3Cl)CC2)n1.
What is the InChIKey of 6-[4-(2-chlorophenoxy)piperidin-1-yl]pyrazine-2-carboxamide?
The InChIKey is UBULOQJLZHVNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c17-12-3-1-2-4-14(12)23-11-5-7-21(8-6-11)15-10-19-9-13(20-15)16(18)22/h1-4,9-11H,5-8H2,(H2,18,22).
What are the key properties of 6-[4-(2-chlorophenoxy)piperidin-1-yl]pyrazine-2-carboxamide?
6-[4-(2-chlorophenoxy)piperidin-1-yl]pyrazine-2-carboxamide has a molecular weight of 332.79 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-chlorophenoxy)piperidin-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 133391003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).