3-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonane-7-carbonyl]-1H-pyridin-2-one

C20H22N2O4 — CID 110156205

IUPAC3-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonane-7-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc[nH]c1=O)N1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1
InChIInChI=1S/C20H22N2O4/c23-18-16(8-4-10-21-18)19(24)22-12-17(20(14-22)9-5-11-26-20)25-13-15-6-2-1-3-7-15/h1-4,6-8,10,17H,5,9,11-14H2,(H,21,23)/t17-,20-/m0/s1
InChIKeyBWMIZSLFAWGZHA-PXNSSMCTSA-N
MW354.41 g/mol
LogP1.97
Rot. Bonds4

About 3-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonane-7-carbonyl]-1H-pyridin-2-one

3-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonane-7-carbonyl]-1H-pyridin-2-one (PubChem CID 110156205) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonane-7-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonane-7-carbonyl]-1H-pyridin-2-one
PubChem CID110156205
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name3-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonane-7-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc[nH]c1=O)N1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1
InChIInChI=1S/C20H22N2O4/c23-18-16(8-4-10-21-18)19(24)22-12-17(20(14-22)9-5-11-26-20)25-13-15-6-2-1-3-7-15/h1-4,6-8,10,17H,5,9,11-14H2,(H,21,23)/t17-,20-/m0/s1
InChIKeyBWMIZSLFAWGZHA-PXNSSMCTSA-N
XLogP1.97
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonane-7-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 3-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonane-7-carbonyl]-1H-pyridin-2-one (CID 110156205) is 3-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonane-7-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonane-7-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonane-7-carbonyl]-1H-pyridin-2-one is O=C(c1ccc[nH]c1=O)N1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1.
What is the InChIKey of 3-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonane-7-carbonyl]-1H-pyridin-2-one?
The InChIKey is BWMIZSLFAWGZHA-PXNSSMCTSA-N. The full InChI is InChI=1S/C20H22N2O4/c23-18-16(8-4-10-21-18)19(24)22-12-17(20(14-22)9-5-11-26-20)25-13-15-6-2-1-3-7-15/h1-4,6-8,10,17H,5,9,11-14H2,(H,21,23)/t17-,20-/m0/s1.
What are the key properties of 3-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonane-7-carbonyl]-1H-pyridin-2-one?
3-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonane-7-carbonyl]-1H-pyridin-2-one has a molecular weight of 354.41 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonane-7-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 110156205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).