1-[[1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrrolidin-2-one

C15H21ClN4O — CID 14554104

IUPAC1-[[1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrrolidin-2-one
SMILESCc1cc(Cl)nc(N2CCC(CN3CCCC3=O)CC2)n1
InChIInChI=1S/C15H21ClN4O/c1-11-9-13(16)18-15(17-11)19-7-4-12(5-8-19)10-20-6-2-3-14(20)21/h9,12H,2-8,10H2,1H3
InChIKeyWZRWFDQLLRKMRS-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.28
Rot. Bonds3

About 1-[[1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrrolidin-2-one

1-[[1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrrolidin-2-one (PubChem CID 14554104) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is 1-[[1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrrolidin-2-one
PubChem CID14554104
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC Name1-[[1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrrolidin-2-one
SMILESCc1cc(Cl)nc(N2CCC(CN3CCCC3=O)CC2)n1
InChIInChI=1S/C15H21ClN4O/c1-11-9-13(16)18-15(17-11)19-7-4-12(5-8-19)10-20-6-2-3-14(20)21/h9,12H,2-8,10H2,1H3
InChIKeyWZRWFDQLLRKMRS-UHFFFAOYSA-N
XLogP2.28
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrrolidin-2-one (CID 14554104) is 1-[[1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrrolidin-2-one is Cc1cc(Cl)nc(N2CCC(CN3CCCC3=O)CC2)n1.
What is the InChIKey of 1-[[1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrrolidin-2-one?
The InChIKey is WZRWFDQLLRKMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O/c1-11-9-13(16)18-15(17-11)19-7-4-12(5-8-19)10-20-6-2-3-14(20)21/h9,12H,2-8,10H2,1H3.
What are the key properties of 1-[[1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrrolidin-2-one?
1-[[1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrrolidin-2-one has a molecular weight of 308.81 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 14554104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).