N-[1-(6-chloropyrazin-2-yl)piperidin-3-yl]propanamide

C12H17ClN4O — CID 71996611

IUPACN-[1-(6-chloropyrazin-2-yl)piperidin-3-yl]propanamide
SMILESCCC(=O)NC1CCCN(c2cncc(Cl)n2)C1
InChIInChI=1S/C12H17ClN4O/c1-2-12(18)15-9-4-3-5-17(8-9)11-7-14-6-10(13)16-11/h6-7,9H,2-5,8H2,1H3,(H,15,18)
InChIKeyAMKBNKKNALFZBC-UHFFFAOYSA-N
MW268.75 g/mol
LogP1.62
Rot. Bonds3

About N-[1-(6-chloropyrazin-2-yl)piperidin-3-yl]propanamide

N-[1-(6-chloropyrazin-2-yl)piperidin-3-yl]propanamide (PubChem CID 71996611) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is N-[1-(6-chloropyrazin-2-yl)piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[1-(6-chloropyrazin-2-yl)piperidin-3-yl]propanamide
PubChem CID71996611
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC NameN-[1-(6-chloropyrazin-2-yl)piperidin-3-yl]propanamide
SMILESCCC(=O)NC1CCCN(c2cncc(Cl)n2)C1
InChIInChI=1S/C12H17ClN4O/c1-2-12(18)15-9-4-3-5-17(8-9)11-7-14-6-10(13)16-11/h6-7,9H,2-5,8H2,1H3,(H,15,18)
InChIKeyAMKBNKKNALFZBC-UHFFFAOYSA-N
XLogP1.62
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-(3-methylpiperidin-1-yl)pyrazine
CID 53409115
N-[1-(6-methylpyrazin-2-yl)piperidin-3-yl]acetamide
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N-[1-(2,6-dichloropyrimidin-4-yl)pyrrolidin-3-yl]propanamide
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2-methyl-N-[(3R)-1-(6-propan-2-yloxypyrazin-2-yl)piperidin-3-yl]propanamide
CID 99600977
2-[1-(6-chloropyrazin-2-yl)piperidin-3-yl]oxyethanol
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1-(6-chloropyrazin-2-yl)-3-methylpiperidin-4-amine
CID 116650896
1-(6-chloropyrazin-2-yl)azepan-4-ol
CID 130702579
2-chloro-6-(3,4-dimethylpyrrolidin-1-yl)pyrazine
CID 79035105
(3R)-1-(6-chloropyrazin-2-yl)pyrrolidin-3-ol
CID 86323671
N-[1-[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-3-yl]butanamide
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6-chloro-N-(1-methylpiperidin-3-yl)pyrazine-2-carboxamide
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N-[(3R)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]acetamide
CID 118146345

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-chloropyrazin-2-yl)piperidin-3-yl]propanamide?
The IUPAC name of N-[1-(6-chloropyrazin-2-yl)piperidin-3-yl]propanamide (CID 71996611) is N-[1-(6-chloropyrazin-2-yl)piperidin-3-yl]propanamide.
What is the SMILES notation for N-[1-(6-chloropyrazin-2-yl)piperidin-3-yl]propanamide?
The canonical SMILES for N-[1-(6-chloropyrazin-2-yl)piperidin-3-yl]propanamide is CCC(=O)NC1CCCN(c2cncc(Cl)n2)C1.
What is the InChIKey of N-[1-(6-chloropyrazin-2-yl)piperidin-3-yl]propanamide?
The InChIKey is AMKBNKKNALFZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O/c1-2-12(18)15-9-4-3-5-17(8-9)11-7-14-6-10(13)16-11/h6-7,9H,2-5,8H2,1H3,(H,15,18).
What are the key properties of N-[1-(6-chloropyrazin-2-yl)piperidin-3-yl]propanamide?
N-[1-(6-chloropyrazin-2-yl)piperidin-3-yl]propanamide has a molecular weight of 268.75 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-chloropyrazin-2-yl)piperidin-3-yl]propanamide is sourced from PubChem (CID 71996611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).