(5R)-9-(1,2-dihydropyridin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one

C18H27N3O2 — CID 173174986

IUPAC(5R)-9-(1,2-dihydropyridin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(C2CCOCC2)CC[C@@]12CCCN(C1C=CC=CN1)C2
InChIInChI=1S/C18H27N3O2/c22-17-18(8-11-21(17)15-5-12-23-13-6-15)7-3-10-20(14-18)16-4-1-2-9-19-16/h1-2,4,9,15-16,19H,3,5-8,10-14H2/t16?,18-/m1/s1
InChIKeyCVVUDJRPUSVARS-UHUGOGIASA-N
MW317.43 g/mol
LogP1.48
Rot. Bonds2

About (5R)-9-(1,2-dihydropyridin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one

(5R)-9-(1,2-dihydropyridin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 173174986) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is (5R)-9-(1,2-dihydropyridin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(5R)-9-(1,2-dihydropyridin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID173174986
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name(5R)-9-(1,2-dihydropyridin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(C2CCOCC2)CC[C@@]12CCCN(C1C=CC=CN1)C2
InChIInChI=1S/C18H27N3O2/c22-17-18(8-11-21(17)15-5-12-23-13-6-15)7-3-10-20(14-18)16-4-1-2-9-19-16/h1-2,4,9,15-16,19H,3,5-8,10-14H2/t16?,18-/m1/s1
InChIKeyCVVUDJRPUSVARS-UHUGOGIASA-N
XLogP1.48
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-9-(1,2-dihydropyridin-2-yl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
CID 173174944
8-(1,2-dihydropyridin-2-yl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one
CID 173143845
(5R)-2-(4-hydroxycyclohexyl)-9-(4-methyl-1,2-dihydropyridin-2-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 173174676
(5R)-2-(oxan-4-yl)-9-pyridin-2-yl-2,9-diazaspiro[4.5]decan-1-one
CID 173174985
(5S)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 129463286
(5R)-9-(5-chloro-2-pyridinyl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 58653470
(5S)-7-cyclohexyl-2-(oxane-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97120893
7-(oxan-4-yl)-2-(2-phenoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72838415
5-[(5R)-7-(oxan-4-yl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-1,2-oxazol-3-one
CID 97110294
(5S)-2-(2-methylfuran-3-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97142794
(5S)-7-(oxan-4-yl)-2-(3-phenoxypropyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97119315
(5R)-2-(2-methylsulfonylethyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97109673

Frequently Asked Questions

What is the IUPAC name of (5R)-9-(1,2-dihydropyridin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of (5R)-9-(1,2-dihydropyridin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one (CID 173174986) is (5R)-9-(1,2-dihydropyridin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for (5R)-9-(1,2-dihydropyridin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for (5R)-9-(1,2-dihydropyridin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one is O=C1N(C2CCOCC2)CC[C@@]12CCCN(C1C=CC=CN1)C2.
What is the InChIKey of (5R)-9-(1,2-dihydropyridin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is CVVUDJRPUSVARS-UHUGOGIASA-N. The full InChI is InChI=1S/C18H27N3O2/c22-17-18(8-11-21(17)15-5-12-23-13-6-15)7-3-10-20(14-18)16-4-1-2-9-19-16/h1-2,4,9,15-16,19H,3,5-8,10-14H2/t16?,18-/m1/s1.
What are the key properties of (5R)-9-(1,2-dihydropyridin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one?
(5R)-9-(1,2-dihydropyridin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 317.43 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-(1,2-dihydropyridin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 173174986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).