[4-(diethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyridin-4-ylmethanone

C19H29N3O2 — CID 91919112

IUPAC[4-(diethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyridin-4-ylmethanone
SMILESCCN(CC)C1CCOC2(CCN(C(=O)c3ccncc3)CC2)C1
InChIInChI=1S/C19H29N3O2/c1-3-21(4-2)17-7-14-24-19(15-17)8-12-22(13-9-19)18(23)16-5-10-20-11-6-16/h5-6,10-11,17H,3-4,7-9,12-15H2,1-2H3
InChIKeyXFGKVVXCRSZPOH-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.58
Rot. Bonds4

About [4-(diethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyridin-4-ylmethanone

[4-(diethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyridin-4-ylmethanone (PubChem CID 91919112) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is [4-(diethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-(diethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyridin-4-ylmethanone
PubChem CID91919112
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name[4-(diethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyridin-4-ylmethanone
SMILESCCN(CC)C1CCOC2(CCN(C(=O)c3ccncc3)CC2)C1
InChIInChI=1S/C19H29N3O2/c1-3-21(4-2)17-7-14-24-19(15-17)8-12-22(13-9-19)18(23)16-5-10-20-11-6-16/h5-6,10-11,17H,3-4,7-9,12-15H2,1-2H3
InChIKeyXFGKVVXCRSZPOH-UHFFFAOYSA-N
XLogP2.58
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(diethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-(diethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyridin-4-ylmethanone (CID 91919112) is [4-(diethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-(diethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-(diethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyridin-4-ylmethanone is CCN(CC)C1CCOC2(CCN(C(=O)c3ccncc3)CC2)C1.
What is the InChIKey of [4-(diethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyridin-4-ylmethanone?
The InChIKey is XFGKVVXCRSZPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-3-21(4-2)17-7-14-24-19(15-17)8-12-22(13-9-19)18(23)16-5-10-20-11-6-16/h5-6,10-11,17H,3-4,7-9,12-15H2,1-2H3.
What are the key properties of [4-(diethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyridin-4-ylmethanone?
[4-(diethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyridin-4-ylmethanone has a molecular weight of 331.46 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(diethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 91919112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).