1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-one

C19H23ClN4O4S — CID 23133609

IUPAC1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-one
SMILESO=C(CCCc1ncccn1)CS(=O)(=O)N1CCC(Oc2ccc(Cl)cn2)CC1
InChIInChI=1S/C19H23ClN4O4S/c20-15-5-6-19(23-13-15)28-17-7-11-24(12-8-17)29(26,27)14-16(25)3-1-4-18-21-9-2-10-22-18/h2,5-6,9-10,13,17H,1,3-4,7-8,11-12,14H2
InChIKeyMUFDDMXRRXYWAD-UHFFFAOYSA-N
MW438.94 g/mol
LogP2.29
Rot. Bonds9

About 1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-one

1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-one (PubChem CID 23133609) has the molecular formula C19H23ClN4O4S and a molecular weight of 438.94 g/mol. Its IUPAC name is 1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-one.

Molecular Properties

Compound Name1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-one
PubChem CID23133609
Molecular FormulaC19H23ClN4O4S
Molecular Weight438.94 g/mol
Exact Mass438.11
IUPAC Name1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-one
SMILESO=C(CCCc1ncccn1)CS(=O)(=O)N1CCC(Oc2ccc(Cl)cn2)CC1
InChIInChI=1S/C19H23ClN4O4S/c20-15-5-6-19(23-13-15)28-17-7-11-24(12-8-17)29(26,27)14-16(25)3-1-4-18-21-9-2-10-22-18/h2,5-6,9-10,13,17H,1,3-4,7-8,11-12,14H2
InChIKeyMUFDDMXRRXYWAD-UHFFFAOYSA-N
XLogP2.29
TPSA102.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.94
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-one?
The IUPAC name of 1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-one (CID 23133609) is 1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-one.
What is the SMILES notation for 1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-one?
The canonical SMILES for 1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-one is O=C(CCCc1ncccn1)CS(=O)(=O)N1CCC(Oc2ccc(Cl)cn2)CC1.
What is the InChIKey of 1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-one?
The InChIKey is MUFDDMXRRXYWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O4S/c20-15-5-6-19(23-13-15)28-17-7-11-24(12-8-17)29(26,27)14-16(25)3-1-4-18-21-9-2-10-22-18/h2,5-6,9-10,13,17H,1,3-4,7-8,11-12,14H2.
What are the key properties of 1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-one?
1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-one has a molecular weight of 438.94 g/mol, XLogP of 2.29, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-one is sourced from PubChem (CID 23133609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).