9-[2-(dimethylamino)ethyl]-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C17H26N4O2 — CID 97392243

IUPAC9-[2-(dimethylamino)ethyl]-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCN(C)CCN1CCC2(CC1)CN(c1cccnc1)C(=O)CO2
InChIInChI=1S/C17H26N4O2/c1-19(2)10-11-20-8-5-17(6-9-20)14-21(16(22)13-23-17)15-4-3-7-18-12-15/h3-4,7,12H,5-6,8-11,13-14H2,1-2H3
InChIKeyMCJHMNPKCBKSDB-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.84
Rot. Bonds4

About 9-[2-(dimethylamino)ethyl]-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-[2-(dimethylamino)ethyl]-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97392243) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 9-[2-(dimethylamino)ethyl]-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[2-(dimethylamino)ethyl]-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID97392243
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name9-[2-(dimethylamino)ethyl]-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCN(C)CCN1CCC2(CC1)CN(c1cccnc1)C(=O)CO2
InChIInChI=1S/C17H26N4O2/c1-19(2)10-11-20-8-5-17(6-9-20)14-21(16(22)13-23-17)15-4-3-7-18-12-15/h3-4,7,12H,5-6,8-11,13-14H2,1-2H3
InChIKeyMCJHMNPKCBKSDB-UHFFFAOYSA-N
XLogP0.84
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(dimethylamino)ethyl]-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[2-(dimethylamino)ethyl]-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 97392243) is 9-[2-(dimethylamino)ethyl]-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[2-(dimethylamino)ethyl]-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[2-(dimethylamino)ethyl]-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CN(C)CCN1CCC2(CC1)CN(c1cccnc1)C(=O)CO2.
What is the InChIKey of 9-[2-(dimethylamino)ethyl]-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is MCJHMNPKCBKSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-19(2)10-11-20-8-5-17(6-9-20)14-21(16(22)13-23-17)15-4-3-7-18-12-15/h3-4,7,12H,5-6,8-11,13-14H2,1-2H3.
What are the key properties of 9-[2-(dimethylamino)ethyl]-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-[2-(dimethylamino)ethyl]-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 318.42 g/mol, XLogP of 0.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(dimethylamino)ethyl]-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97392243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).