6-chloro-N-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazine-2-carboxamide

C13H17ClN4O3 — CID 106551335

IUPAC6-chloro-N-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazine-2-carboxamide
SMILESCOCC(=O)N1CCC(NC(=O)c2cncc(Cl)n2)CC1
InChIInChI=1S/C13H17ClN4O3/c1-21-8-12(19)18-4-2-9(3-5-18)16-13(20)10-6-15-7-11(14)17-10/h6-7,9H,2-5,8H2,1H3,(H,16,20)
InChIKeyFLGWBXOOULRSGV-UHFFFAOYSA-N
MW312.76 g/mol
LogP0.50
Rot. Bonds4

About 6-chloro-N-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazine-2-carboxamide

6-chloro-N-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazine-2-carboxamide (PubChem CID 106551335) has the molecular formula C13H17ClN4O3 and a molecular weight of 312.76 g/mol. Its IUPAC name is 6-chloro-N-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazine-2-carboxamide
PubChem CID106551335
Molecular FormulaC13H17ClN4O3
Molecular Weight312.76 g/mol
Exact Mass312.10
IUPAC Name6-chloro-N-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazine-2-carboxamide
SMILESCOCC(=O)N1CCC(NC(=O)c2cncc(Cl)n2)CC1
InChIInChI=1S/C13H17ClN4O3/c1-21-8-12(19)18-4-2-9(3-5-18)16-13(20)10-6-15-7-11(14)17-10/h6-7,9H,2-5,8H2,1H3,(H,16,20)
InChIKeyFLGWBXOOULRSGV-UHFFFAOYSA-N
XLogP0.50
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 62786842
6-chloro-N-(4-hydroxycyclohexyl)pyrazine-2-carboxamide
CID 103336797
6-chloro-N-(thian-4-yl)pyrazine-2-carboxamide
CID 106551266
6-chloro-N-(1-methylpiperidin-3-yl)pyrazine-2-carboxamide
CID 106551204
N-(azetidin-3-yl)-6-chloropyrazine-2-carboxamide;hydrochloride
CID 118279228
N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554750
N-[1-(2-methoxyacetyl)piperidin-4-yl]-3-(pyridine-2-carbonylamino)pyrazine-2-carboxamide
CID 42866695
2-bromo-N-[1-(2-methoxyacetyl)piperidin-4-yl]pyridine-4-carboxamide
CID 103754705
2-methoxy-1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone
CID 43747632
N-[1-(2-methoxyacetyl)piperidin-4-yl]imidazole-1-carboxamide
CID 81257423
2-bromo-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide
CID 63681407
N-[1-(2-methoxyacetyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
CID 108554843

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazine-2-carboxamide (CID 106551335) is 6-chloro-N-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazine-2-carboxamide is COCC(=O)N1CCC(NC(=O)c2cncc(Cl)n2)CC1.
What is the InChIKey of 6-chloro-N-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazine-2-carboxamide?
The InChIKey is FLGWBXOOULRSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O3/c1-21-8-12(19)18-4-2-9(3-5-18)16-13(20)10-6-15-7-11(14)17-10/h6-7,9H,2-5,8H2,1H3,(H,16,20).
What are the key properties of 6-chloro-N-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazine-2-carboxamide?
6-chloro-N-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazine-2-carboxamide has a molecular weight of 312.76 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 106551335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).