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

C12H17ClN4O — CID 133356015

IUPAC2-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]acetamide
SMILESCc1nc(Cl)cc(N2CCCC(CC(N)=O)C2)n1
InChIInChI=1S/C12H17ClN4O/c1-8-15-10(13)6-12(16-8)17-4-2-3-9(7-17)5-11(14)18/h6,9H,2-5,7H2,1H3,(H2,14,18)
InChIKeyDCPVSWHFKONKPH-UHFFFAOYSA-N
MW268.75 g/mol
LogP1.53
Rot. Bonds3

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

2-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]acetamide (PubChem CID 133356015) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is 2-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]acetamide
PubChem CID133356015
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC Name2-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]acetamide
SMILESCc1nc(Cl)cc(N2CCCC(CC(N)=O)C2)n1
InChIInChI=1S/C12H17ClN4O/c1-8-15-10(13)6-12(16-8)17-4-2-3-9(7-17)5-11(14)18/h6,9H,2-5,7H2,1H3,(H2,14,18)
InChIKeyDCPVSWHFKONKPH-UHFFFAOYSA-N
XLogP1.53
TPSA72.11 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 ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-chloro-2-methylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 121204774
[(3R)-1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 129393742
4-[[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine
CID 133302102
2-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]acetamide
CID 133403773
4-chloro-6-(3-ethylpyrrolidin-1-yl)-2-methylpyrimidine
CID 115689812
5-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 75378860
4-chloro-6-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-2-methylpyrimidine
CID 133390644
2-(6-chloro-2-methylpyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 78918766
2-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-yl]-N,N-dimethylacetamide
CID 133442555
2-chloro-6-[3-(methoxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 106587160
4-[3-(2-chloroethyl)piperidin-1-yl]-2,6-dimethylpyrimidine
CID 55185138
[(3R)-1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 86329188

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]acetamide?
The IUPAC name of 2-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]acetamide (CID 133356015) is 2-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]acetamide.
What is the SMILES notation for 2-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]acetamide?
The canonical SMILES for 2-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]acetamide is Cc1nc(Cl)cc(N2CCCC(CC(N)=O)C2)n1.
What is the InChIKey of 2-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]acetamide?
The InChIKey is DCPVSWHFKONKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O/c1-8-15-10(13)6-12(16-8)17-4-2-3-9(7-17)5-11(14)18/h6,9H,2-5,7H2,1H3,(H2,14,18).
What are the key properties of 2-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]acetamide?
2-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]acetamide has a molecular weight of 268.75 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]acetamide is sourced from PubChem (CID 133356015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).