4-pyridin-3-yl-9-(pyrrolidine-1-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C18H24N4O3 — CID 97451080

IUPAC4-pyridin-3-yl-9-(pyrrolidine-1-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C(N1CCCC1)N1CCC2(CC1)CN(c1cccnc1)C(=O)CO2
InChIInChI=1S/C18H24N4O3/c23-16-13-25-18(14-22(16)15-4-3-7-19-12-15)5-10-21(11-6-18)17(24)20-8-1-2-9-20/h3-4,7,12H,1-2,5-6,8-11,13-14H2
InChIKeyPIHGRFOPZVLGFA-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.50
Rot. Bonds1

About 4-pyridin-3-yl-9-(pyrrolidine-1-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

4-pyridin-3-yl-9-(pyrrolidine-1-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97451080) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-pyridin-3-yl-9-(pyrrolidine-1-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-pyridin-3-yl-9-(pyrrolidine-1-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID97451080
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name4-pyridin-3-yl-9-(pyrrolidine-1-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C(N1CCCC1)N1CCC2(CC1)CN(c1cccnc1)C(=O)CO2
InChIInChI=1S/C18H24N4O3/c23-16-13-25-18(14-22(16)15-4-3-7-19-12-15)5-10-21(11-6-18)17(24)20-8-1-2-9-20/h3-4,7,12H,1-2,5-6,8-11,13-14H2
InChIKeyPIHGRFOPZVLGFA-UHFFFAOYSA-N
XLogP1.50
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-yl-9-(pyrrolidine-1-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-pyridin-3-yl-9-(pyrrolidine-1-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 97451080) is 4-pyridin-3-yl-9-(pyrrolidine-1-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-pyridin-3-yl-9-(pyrrolidine-1-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-pyridin-3-yl-9-(pyrrolidine-1-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is O=C(N1CCCC1)N1CCC2(CC1)CN(c1cccnc1)C(=O)CO2.
What is the InChIKey of 4-pyridin-3-yl-9-(pyrrolidine-1-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is PIHGRFOPZVLGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c23-16-13-25-18(14-22(16)15-4-3-7-19-12-15)5-10-21(11-6-18)17(24)20-8-1-2-9-20/h3-4,7,12H,1-2,5-6,8-11,13-14H2.
What are the key properties of 4-pyridin-3-yl-9-(pyrrolidine-1-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4-pyridin-3-yl-9-(pyrrolidine-1-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 344.42 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-yl-9-(pyrrolidine-1-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97451080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).