(5S)-5-butyl-3-pyridin-2-yl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one

C17H25N3O2 — CID 141216198

IUPAC(5S)-5-butyl-3-pyridin-2-yl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one
SMILESCCCC[C@H]1CN(c2ccccn2)C(=O)OC12CCNCC2
InChIInChI=1S/C17H25N3O2/c1-2-3-6-14-13-20(15-7-4-5-10-19-15)16(21)22-17(14)8-11-18-12-9-17/h4-5,7,10,14,18H,2-3,6,8-9,11-13H2,1H3/t14-/m0/s1
InChIKeyONRDMDACWFCAEQ-AWEZNQCLSA-N
MW303.41 g/mol
LogP2.97
Rot. Bonds4

About (5S)-5-butyl-3-pyridin-2-yl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one

(5S)-5-butyl-3-pyridin-2-yl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one (PubChem CID 141216198) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (5S)-5-butyl-3-pyridin-2-yl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name(5S)-5-butyl-3-pyridin-2-yl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one
PubChem CID141216198
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name(5S)-5-butyl-3-pyridin-2-yl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one
SMILESCCCC[C@H]1CN(c2ccccn2)C(=O)OC12CCNCC2
InChIInChI=1S/C17H25N3O2/c1-2-3-6-14-13-20(15-7-4-5-10-19-15)16(21)22-17(14)8-11-18-12-9-17/h4-5,7,10,14,18H,2-3,6,8-9,11-13H2,1H3/t14-/m0/s1
InChIKeyONRDMDACWFCAEQ-AWEZNQCLSA-N
XLogP2.97
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-butyl-3-pyridin-2-yl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one?
The IUPAC name of (5S)-5-butyl-3-pyridin-2-yl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one (CID 141216198) is (5S)-5-butyl-3-pyridin-2-yl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for (5S)-5-butyl-3-pyridin-2-yl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for (5S)-5-butyl-3-pyridin-2-yl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one is CCCC[C@H]1CN(c2ccccn2)C(=O)OC12CCNCC2.
What is the InChIKey of (5S)-5-butyl-3-pyridin-2-yl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one?
The InChIKey is ONRDMDACWFCAEQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-2-3-6-14-13-20(15-7-4-5-10-19-15)16(21)22-17(14)8-11-18-12-9-17/h4-5,7,10,14,18H,2-3,6,8-9,11-13H2,1H3/t14-/m0/s1.
What are the key properties of (5S)-5-butyl-3-pyridin-2-yl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one?
(5S)-5-butyl-3-pyridin-2-yl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one has a molecular weight of 303.41 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-butyl-3-pyridin-2-yl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 141216198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).