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

C18H23ClN4O4S — CID 23133512

IUPAC1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-5-imidazol-1-ylpentan-2-one
SMILESO=C(CCCn1ccnc1)CS(=O)(=O)N1CCC(Oc2ccc(Cl)cn2)CC1
InChIInChI=1S/C18H23ClN4O4S/c19-15-3-4-18(21-12-15)27-17-5-9-23(10-6-17)28(25,26)13-16(24)2-1-8-22-11-7-20-14-22/h3-4,7,11-12,14,17H,1-2,5-6,8-10,13H2
InChIKeyVYBROEDDFBJUNL-UHFFFAOYSA-N
MW426.93 g/mol
LogP2.15
Rot. Bonds9

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

1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-5-imidazol-1-ylpentan-2-one (PubChem CID 23133512) has the molecular formula C18H23ClN4O4S and a molecular weight of 426.93 g/mol. Its IUPAC name is 1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-5-imidazol-1-ylpentan-2-one.

Molecular Properties

Compound Name1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-5-imidazol-1-ylpentan-2-one
PubChem CID23133512
Molecular FormulaC18H23ClN4O4S
Molecular Weight426.93 g/mol
Exact Mass426.11
IUPAC Name1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-5-imidazol-1-ylpentan-2-one
SMILESO=C(CCCn1ccnc1)CS(=O)(=O)N1CCC(Oc2ccc(Cl)cn2)CC1
InChIInChI=1S/C18H23ClN4O4S/c19-15-3-4-18(21-12-15)27-17-5-9-23(10-6-17)28(25,26)13-16(24)2-1-8-22-11-7-20-14-22/h3-4,7,11-12,14,17H,1-2,5-6,8-10,13H2
InChIKeyVYBROEDDFBJUNL-UHFFFAOYSA-N
XLogP2.15
TPSA94.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.93
LogP ≤ 52.15
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-imidazol-1-ylpentan-2-one?
The IUPAC name of 1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-5-imidazol-1-ylpentan-2-one (CID 23133512) is 1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-5-imidazol-1-ylpentan-2-one.
What is the SMILES notation for 1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-5-imidazol-1-ylpentan-2-one?
The canonical SMILES for 1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-5-imidazol-1-ylpentan-2-one is O=C(CCCn1ccnc1)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-imidazol-1-ylpentan-2-one?
The InChIKey is VYBROEDDFBJUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O4S/c19-15-3-4-18(21-12-15)27-17-5-9-23(10-6-17)28(25,26)13-16(24)2-1-8-22-11-7-20-14-22/h3-4,7,11-12,14,17H,1-2,5-6,8-10,13H2.
What are the key properties of 1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-5-imidazol-1-ylpentan-2-one?
1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-5-imidazol-1-ylpentan-2-one has a molecular weight of 426.93 g/mol, XLogP of 2.15, 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-imidazol-1-ylpentan-2-one is sourced from PubChem (CID 23133512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).