(3S)-3-[3-[(5-chloro-2-pyridinyl)oxy]phenyl]-1-oxa-8-azaspiro[4.5]decane

C19H21ClN2O2 — CID 67402871

IUPAC(3S)-3-[3-[(5-chloro-2-pyridinyl)oxy]phenyl]-1-oxa-8-azaspiro[4.5]decane
SMILESClc1ccc(Oc2cccc([C@H]3COC4(CCNCC4)C3)c2)nc1
InChIInChI=1S/C19H21ClN2O2/c20-16-4-5-18(22-12-16)24-17-3-1-2-14(10-17)15-11-19(23-13-15)6-8-21-9-7-19/h1-5,10,12,15,21H,6-9,11,13H2/t15-/m1/s1
InChIKeyUDAJCRINWINSAO-OAHLLOKOSA-N
MW344.84 g/mol
LogP4.15
Rot. Bonds3

About (3S)-3-[3-[(5-chloro-2-pyridinyl)oxy]phenyl]-1-oxa-8-azaspiro[4.5]decane

(3S)-3-[3-[(5-chloro-2-pyridinyl)oxy]phenyl]-1-oxa-8-azaspiro[4.5]decane (PubChem CID 67402871) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is (3S)-3-[3-[(5-chloro-2-pyridinyl)oxy]phenyl]-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3S)-3-[3-[(5-chloro-2-pyridinyl)oxy]phenyl]-1-oxa-8-azaspiro[4.5]decane
PubChem CID67402871
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name(3S)-3-[3-[(5-chloro-2-pyridinyl)oxy]phenyl]-1-oxa-8-azaspiro[4.5]decane
SMILESClc1ccc(Oc2cccc([C@H]3COC4(CCNCC4)C3)c2)nc1
InChIInChI=1S/C19H21ClN2O2/c20-16-4-5-18(22-12-16)24-17-3-1-2-14(10-17)15-11-19(23-13-15)6-8-21-9-7-19/h1-5,10,12,15,21H,6-9,11,13H2/t15-/m1/s1
InChIKeyUDAJCRINWINSAO-OAHLLOKOSA-N
XLogP4.15
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[3-[(5-chloro-2-pyridinyl)oxy]phenyl]-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3S)-3-[3-[(5-chloro-2-pyridinyl)oxy]phenyl]-1-oxa-8-azaspiro[4.5]decane (CID 67402871) is (3S)-3-[3-[(5-chloro-2-pyridinyl)oxy]phenyl]-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3S)-3-[3-[(5-chloro-2-pyridinyl)oxy]phenyl]-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3S)-3-[3-[(5-chloro-2-pyridinyl)oxy]phenyl]-1-oxa-8-azaspiro[4.5]decane is Clc1ccc(Oc2cccc([C@H]3COC4(CCNCC4)C3)c2)nc1.
What is the InChIKey of (3S)-3-[3-[(5-chloro-2-pyridinyl)oxy]phenyl]-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is UDAJCRINWINSAO-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c20-16-4-5-18(22-12-16)24-17-3-1-2-14(10-17)15-11-19(23-13-15)6-8-21-9-7-19/h1-5,10,12,15,21H,6-9,11,13H2/t15-/m1/s1.
What are the key properties of (3S)-3-[3-[(5-chloro-2-pyridinyl)oxy]phenyl]-1-oxa-8-azaspiro[4.5]decane?
(3S)-3-[3-[(5-chloro-2-pyridinyl)oxy]phenyl]-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 344.84 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[3-[(5-chloro-2-pyridinyl)oxy]phenyl]-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 67402871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).