5-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1-methylpiperidin-2-one

C16H23ClN4O — CID 139599572

IUPAC5-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1-methylpiperidin-2-one
SMILESCN1CC(CN2CCN(c3ccc(Cl)cn3)CC2)CCC1=O
InChIInChI=1S/C16H23ClN4O/c1-19-11-13(2-5-16(19)22)12-20-6-8-21(9-7-20)15-4-3-14(17)10-18-15/h3-4,10,13H,2,5-9,11-12H2,1H3
InChIKeyWFHBTSJAWJMAQF-UHFFFAOYSA-N
MW322.84 g/mol
LogP1.73
Rot. Bonds3

About 5-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1-methylpiperidin-2-one

5-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1-methylpiperidin-2-one (PubChem CID 139599572) has the molecular formula C16H23ClN4O and a molecular weight of 322.84 g/mol. Its IUPAC name is 5-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1-methylpiperidin-2-one
PubChem CID139599572
Molecular FormulaC16H23ClN4O
Molecular Weight322.84 g/mol
Exact Mass322.16
IUPAC Name5-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1-methylpiperidin-2-one
SMILESCN1CC(CN2CCN(c3ccc(Cl)cn3)CC2)CCC1=O
InChIInChI=1S/C16H23ClN4O/c1-19-11-13(2-5-16(19)22)12-20-6-8-21(9-7-20)15-4-3-14(17)10-18-15/h3-4,10,13H,2,5-9,11-12H2,1H3
InChIKeyWFHBTSJAWJMAQF-UHFFFAOYSA-N
XLogP1.73
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1-methylpiperidin-2-one?
The IUPAC name of 5-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1-methylpiperidin-2-one (CID 139599572) is 5-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1-methylpiperidin-2-one is CN1CC(CN2CCN(c3ccc(Cl)cn3)CC2)CCC1=O.
What is the InChIKey of 5-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1-methylpiperidin-2-one?
The InChIKey is WFHBTSJAWJMAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN4O/c1-19-11-13(2-5-16(19)22)12-20-6-8-21(9-7-20)15-4-3-14(17)10-18-15/h3-4,10,13H,2,5-9,11-12H2,1H3.
What are the key properties of 5-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1-methylpiperidin-2-one?
5-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1-methylpiperidin-2-one has a molecular weight of 322.84 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1-methylpiperidin-2-one is sourced from PubChem (CID 139599572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).