8-(1,2-dihydropyridin-2-yl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one

C19H29N3O2 — CID 173143845

IUPAC8-(1,2-dihydropyridin-2-yl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1N(C2CCC(O)CC2)CCC12CCN(C1C=CC=CN1)CC2
InChIInChI=1S/C19H29N3O2/c23-16-6-4-15(5-7-16)22-14-10-19(18(22)24)8-12-21(13-9-19)17-3-1-2-11-20-17/h1-3,11,15-17,20,23H,4-10,12-14H2
InChIKeyHOIXUHOVXCMXCI-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.60
Rot. Bonds2

About 8-(1,2-dihydropyridin-2-yl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one

8-(1,2-dihydropyridin-2-yl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 173143845) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 8-(1,2-dihydropyridin-2-yl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(1,2-dihydropyridin-2-yl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID173143845
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name8-(1,2-dihydropyridin-2-yl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1N(C2CCC(O)CC2)CCC12CCN(C1C=CC=CN1)CC2
InChIInChI=1S/C19H29N3O2/c23-16-6-4-15(5-7-16)22-14-10-19(18(22)24)8-12-21(13-9-19)17-3-1-2-11-20-17/h1-3,11,15-17,20,23H,4-10,12-14H2
InChIKeyHOIXUHOVXCMXCI-UHFFFAOYSA-N
XLogP1.60
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.60
H-Bond Donors ≤ 52
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
(5R)-9-(1,2-dihydropyridin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 173174986
(5R)-2-(4-hydroxycyclohexyl)-9-(4-methyl-1,2-dihydropyridin-2-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 173174676
8-(4-bromophenoxy)-2-(4-hydroxycyclohexyl)-2-azaspiro[4.5]decan-1-one
CID 24964253
2-pyrrolidin-1-yl-1,2-dihydropyridine
CID 21071163
8-(6-fluoro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one
CID 16739588
2-(4-hydroxycyclohexyl)-9-(pyridine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 11689002
N-[4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl]methanesulfonamide
CID 58653318
(5R)-9-(3-bromo-5-methyl-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
CID 58653270
3-[1-(1,2-dihydropyridin-2-yl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 173295713
9-(2,3-difluorophenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
CID 66722474
(5R)-2-(4-hydroxycyclohexyl)-9-(4-methyl-3,4-dihydro-2H-pyrrol-5-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 141301005

Frequently Asked Questions

What is the IUPAC name of 8-(1,2-dihydropyridin-2-yl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-(1,2-dihydropyridin-2-yl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one (CID 173143845) is 8-(1,2-dihydropyridin-2-yl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(1,2-dihydropyridin-2-yl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(1,2-dihydropyridin-2-yl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one is O=C1N(C2CCC(O)CC2)CCC12CCN(C1C=CC=CN1)CC2.
What is the InChIKey of 8-(1,2-dihydropyridin-2-yl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is HOIXUHOVXCMXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c23-16-6-4-15(5-7-16)22-14-10-19(18(22)24)8-12-21(13-9-19)17-3-1-2-11-20-17/h1-3,11,15-17,20,23H,4-10,12-14H2.
What are the key properties of 8-(1,2-dihydropyridin-2-yl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one?
8-(1,2-dihydropyridin-2-yl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 331.46 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,2-dihydropyridin-2-yl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 173143845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).