(6R,11S)-11-hydroxy-8-(4-methoxypyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one

C16H21N3O4 — CID 164699891

IUPAC(6R,11S)-11-hydroxy-8-(4-methoxypyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
SMILESCOc1ccnc(C(=O)N2CC[C@H](O)[C@@]3(CCCNC3=O)C2)c1
InChIInChI=1S/C16H21N3O4/c1-23-11-3-7-17-12(9-11)14(21)19-8-4-13(20)16(10-19)5-2-6-18-15(16)22/h3,7,9,13,20H,2,4-6,8,10H2,1H3,(H,18,22)/t13-,16+/m0/s1
InChIKeyYZPMFICGMISIMR-XJKSGUPXSA-N
MW319.36 g/mol
LogP0.19
Rot. Bonds2

About (6R,11S)-11-hydroxy-8-(4-methoxypyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one

(6R,11S)-11-hydroxy-8-(4-methoxypyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one (PubChem CID 164699891) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is (6R,11S)-11-hydroxy-8-(4-methoxypyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name(6R,11S)-11-hydroxy-8-(4-methoxypyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
PubChem CID164699891
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name(6R,11S)-11-hydroxy-8-(4-methoxypyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
SMILESCOc1ccnc(C(=O)N2CC[C@H](O)[C@@]3(CCCNC3=O)C2)c1
InChIInChI=1S/C16H21N3O4/c1-23-11-3-7-17-12(9-11)14(21)19-8-4-13(20)16(10-19)5-2-6-18-15(16)22/h3,7,9,13,20H,2,4-6,8,10H2,1H3,(H,18,22)/t13-,16+/m0/s1
InChIKeyYZPMFICGMISIMR-XJKSGUPXSA-N
XLogP0.19
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 50.19
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-(4-methoxypyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one?
The IUPAC name of (6R,11S)-11-hydroxy-8-(4-methoxypyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one (CID 164699891) is (6R,11S)-11-hydroxy-8-(4-methoxypyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for (6R,11S)-11-hydroxy-8-(4-methoxypyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for (6R,11S)-11-hydroxy-8-(4-methoxypyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one is COc1ccnc(C(=O)N2CC[C@H](O)[C@@]3(CCCNC3=O)C2)c1.
What is the InChIKey of (6R,11S)-11-hydroxy-8-(4-methoxypyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one?
The InChIKey is YZPMFICGMISIMR-XJKSGUPXSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-23-11-3-7-17-12(9-11)14(21)19-8-4-13(20)16(10-19)5-2-6-18-15(16)22/h3,7,9,13,20H,2,4-6,8,10H2,1H3,(H,18,22)/t13-,16+/m0/s1.
What are the key properties of (6R,11S)-11-hydroxy-8-(4-methoxypyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one?
(6R,11S)-11-hydroxy-8-(4-methoxypyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one has a molecular weight of 319.36 g/mol, XLogP of 0.19, 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-(4-methoxypyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 164699891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).