(6R,11S)-11-hydroxy-8-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one

C16H23N3O3 — CID 164693173

IUPAC(6R,11S)-11-hydroxy-8-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one
SMILESCn1cccc(CN2CC[C@H](O)[C@@]3(CCCNC3=O)C2)c1=O
InChIInChI=1S/C16H23N3O3/c1-18-8-2-4-12(14(18)21)10-19-9-5-13(20)16(11-19)6-3-7-17-15(16)22/h2,4,8,13,20H,3,5-7,9-11H2,1H3,(H,17,22)/t13-,16+/m0/s1
InChIKeyGMEKXEKOTFGHKO-XJKSGUPXSA-N
MW305.38 g/mol
LogP-0.15
Rot. Bonds2

About (6R,11S)-11-hydroxy-8-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one

(6R,11S)-11-hydroxy-8-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one (PubChem CID 164693173) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is (6R,11S)-11-hydroxy-8-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name(6R,11S)-11-hydroxy-8-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one
PubChem CID164693173
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name(6R,11S)-11-hydroxy-8-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one
SMILESCn1cccc(CN2CC[C@H](O)[C@@]3(CCCNC3=O)C2)c1=O
InChIInChI=1S/C16H23N3O3/c1-18-8-2-4-12(14(18)21)10-19-9-5-13(20)16(11-19)6-3-7-17-15(16)22/h2,4,8,13,20H,3,5-7,9-11H2,1H3,(H,17,22)/t13-,16+/m0/s1
InChIKeyGMEKXEKOTFGHKO-XJKSGUPXSA-N
XLogP-0.15
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6R,11S)-11-hydroxy-8-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one?
The IUPAC name of (6R,11S)-11-hydroxy-8-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one (CID 164693173) is (6R,11S)-11-hydroxy-8-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for (6R,11S)-11-hydroxy-8-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for (6R,11S)-11-hydroxy-8-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one is Cn1cccc(CN2CC[C@H](O)[C@@]3(CCCNC3=O)C2)c1=O.
What is the InChIKey of (6R,11S)-11-hydroxy-8-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one?
The InChIKey is GMEKXEKOTFGHKO-XJKSGUPXSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-18-8-2-4-12(14(18)21)10-19-9-5-13(20)16(11-19)6-3-7-17-15(16)22/h2,4,8,13,20H,3,5-7,9-11H2,1H3,(H,17,22)/t13-,16+/m0/s1.
What are the key properties of (6R,11S)-11-hydroxy-8-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one?
(6R,11S)-11-hydroxy-8-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one has a molecular weight of 305.38 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,11S)-11-hydroxy-8-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 164693173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).