2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]acetamide

C11H15ClN4O — CID 54987893

IUPAC2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(c2ccc(Cl)nn2)CC1
InChIInChI=1S/C11H15ClN4O/c12-9-1-2-11(15-14-9)16-5-3-8(4-6-16)7-10(13)17/h1-2,8H,3-7H2,(H2,13,17)
InChIKeySIGUWQUKNVNUKF-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.22
Rot. Bonds3

About 2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]acetamide

2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]acetamide (PubChem CID 54987893) has the molecular formula C11H15ClN4O and a molecular weight of 254.72 g/mol. Its IUPAC name is 2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]acetamide
PubChem CID54987893
Molecular FormulaC11H15ClN4O
Molecular Weight254.72 g/mol
Exact Mass254.09
IUPAC Name2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(c2ccc(Cl)nn2)CC1
InChIInChI=1S/C11H15ClN4O/c12-9-1-2-11(15-14-9)16-5-3-8(4-6-16)7-10(13)17/h1-2,8H,3-7H2,(H2,13,17)
InChIKeySIGUWQUKNVNUKF-UHFFFAOYSA-N
XLogP1.22
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[6-(2-chlorophenyl)pyridazin-3-yl]piperidin-4-yl]acetamide
CID 136568304
3-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]propanoic acid
CID 55049699
2-[1-(2-chloropyrimidin-4-yl)piperidin-4-yl]acetamide
CID 62341695
CID 59303878
CID 59303878
[(3R)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]methanol
CID 94407878
[(3S)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]methanamine
CID 94342103
2-[1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]ethanol
CID 114799166
ethyl N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]carbamate
CID 15124700
ethyl 4-[[1-(6-chloropyridazin-3-yl)piperidin-4-yl]methoxy]benzoate
CID 14989326
1-(6-chloropyridazin-3-yl)azepan-4-ol
CID 130608611
2-[1-(5-amino-6-cyano-2-pyridinyl)piperidin-4-yl]acetamide
CID 103467985
2-[1-(5-amino-6-methoxy-2-pyridinyl)piperidin-4-yl]acetamide
CID 54989449

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]acetamide (CID 54987893) is 2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]acetamide is NC(=O)CC1CCN(c2ccc(Cl)nn2)CC1.
What is the InChIKey of 2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]acetamide?
The InChIKey is SIGUWQUKNVNUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O/c12-9-1-2-11(15-14-9)16-5-3-8(4-6-16)7-10(13)17/h1-2,8H,3-7H2,(H2,13,17).
What are the key properties of 2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]acetamide?
2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]acetamide has a molecular weight of 254.72 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]acetamide is sourced from PubChem (CID 54987893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).