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

C18H23ClN4O4S — CID 91593916

IUPAC1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-5-(1H-imidazol-2-yl)pentan-2-one
SMILESO=C(CCCc1ncc[nH]1)CS(=O)(=O)N1CCC(Oc2ccc(Cl)cn2)CC1
InChIInChI=1S/C18H23ClN4O4S/c19-14-4-5-18(22-12-14)27-16-6-10-23(11-7-16)28(25,26)13-15(24)2-1-3-17-20-8-9-21-17/h4-5,8-9,12,16H,1-3,6-7,10-11,13H2,(H,20,21)
InChIKeyTWZUZMLBFZOFTI-UHFFFAOYSA-N
MW426.93 g/mol
LogP2.22
Rot. Bonds9

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

1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-5-(1H-imidazol-2-yl)pentan-2-one (PubChem CID 91593916) 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-(1H-imidazol-2-yl)pentan-2-one.

Molecular Properties

Compound Name1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-5-(1H-imidazol-2-yl)pentan-2-one
PubChem CID91593916
Molecular FormulaC18H23ClN4O4S
Molecular Weight426.93 g/mol
Exact Mass426.11
IUPAC Name1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-5-(1H-imidazol-2-yl)pentan-2-one
SMILESO=C(CCCc1ncc[nH]1)CS(=O)(=O)N1CCC(Oc2ccc(Cl)cn2)CC1
InChIInChI=1S/C18H23ClN4O4S/c19-14-4-5-18(22-12-14)27-16-6-10-23(11-7-16)28(25,26)13-15(24)2-1-3-17-20-8-9-21-17/h4-5,8-9,12,16H,1-3,6-7,10-11,13H2,(H,20,21)
InChIKeyTWZUZMLBFZOFTI-UHFFFAOYSA-N
XLogP2.22
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.93
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-5-(1H-imidazol-2-yl)pentan-2-one with MolForge

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Related Compounds

1-[4-[(5-Chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-1-pyrimidin-2-ylbutan-2-one
CID 17974186
1-[4-[(5-Chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-4-pyrimidin-2-ylbutan-2-one
CID 23133414
1-[4-[(5-Chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-4-(1,2,4-triazol-1-yl)butan-2-one
CID 23133430
2-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-1-(1H-imidazol-5-yl)ethanone
CID 23133473
1-[4-[(5-Chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-5-imidazol-1-ylpentan-2-one
CID 23133512
5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(1H-imidazol-5-yl)imidazolidine-2,4-dione
CID 23133574
5-[[4-[(5-Chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(3-pyrimidin-2-ylpropyl)imidazolidine-2,4-dione
CID 23133587
1-[4-[(5-Chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-one
CID 23133609
5-[[4-[(5-Chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(2-pyrimidin-2-ylethyl)imidazolidine-2,4-dione
CID 66850582
(5S)-5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(3-pyrimidin-2-ylpropyl)imidazolidine-2,4-dione
CID 66850667
(5R)-5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(3-pyrimidin-2-ylpropyl)imidazolidine-2,4-dione
CID 66851075
5-[4-[(5-Chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-one
CID 69960977

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-5-(1H-imidazol-2-yl)pentan-2-one?
The IUPAC name of 1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-5-(1H-imidazol-2-yl)pentan-2-one (CID 91593916) is 1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-5-(1H-imidazol-2-yl)pentan-2-one.
What is the SMILES notation for 1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-5-(1H-imidazol-2-yl)pentan-2-one?
The canonical SMILES for 1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-5-(1H-imidazol-2-yl)pentan-2-one is O=C(CCCc1ncc[nH]1)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-(1H-imidazol-2-yl)pentan-2-one?
The InChIKey is TWZUZMLBFZOFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O4S/c19-14-4-5-18(22-12-14)27-16-6-10-23(11-7-16)28(25,26)13-15(24)2-1-3-17-20-8-9-21-17/h4-5,8-9,12,16H,1-3,6-7,10-11,13H2,(H,20,21).
What are the key properties of 1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-5-(1H-imidazol-2-yl)pentan-2-one?
1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-5-(1H-imidazol-2-yl)pentan-2-one has a molecular weight of 426.93 g/mol, XLogP of 2.22, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-5-(1H-imidazol-2-yl)pentan-2-one is sourced from PubChem (CID 91593916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).