2-(4-hydroxycyclohexyl)-9-(pyridine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one

C20H27N3O3 — CID 11689002

IUPAC2-(4-hydroxycyclohexyl)-9-(pyridine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C(c1ccncc1)N1CCCC2(CCN(C3CCC(O)CC3)C2=O)C1
InChIInChI=1S/C20H27N3O3/c24-17-4-2-16(3-5-17)23-13-9-20(19(23)26)8-1-12-22(14-20)18(25)15-6-10-21-11-7-15/h6-7,10-11,16-17,24H,1-5,8-9,12-14H2
InChIKeyVXTDODPXGXBTRI-UHFFFAOYSA-N
MW357.45 g/mol
LogP1.84
Rot. Bonds2

About 2-(4-hydroxycyclohexyl)-9-(pyridine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one

2-(4-hydroxycyclohexyl)-9-(pyridine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 11689002) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 2-(4-hydroxycyclohexyl)-9-(pyridine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-(4-hydroxycyclohexyl)-9-(pyridine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID11689002
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name2-(4-hydroxycyclohexyl)-9-(pyridine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C(c1ccncc1)N1CCCC2(CCN(C3CCC(O)CC3)C2=O)C1
InChIInChI=1S/C20H27N3O3/c24-17-4-2-16(3-5-17)23-13-9-20(19(23)26)8-1-12-22(14-20)18(25)15-6-10-21-11-7-15/h6-7,10-11,16-17,24H,1-5,8-9,12-14H2
InChIKeyVXTDODPXGXBTRI-UHFFFAOYSA-N
XLogP1.84
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-hydroxycyclohexyl)-9-(pyridine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R)-9-(pyridine-4-carbonyl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 97490320
(5R)-2-(4-hydroxycyclohexyl)-9-[4-(2-methylphenyl)piperazine-1-carbonyl]-2,9-diazaspiro[4.5]decan-1-one
CID 58653605
9-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
CID 11662551
(5R)-7-cyclohexyl-2-(1-methylpyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97156474
[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 71981899
(5S)-2-(3-chlorobenzoyl)-7-cyclohexyl-2,7-diazaspiro[4.5]decan-6-one
CID 97127071
9-(pyridazine-4-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131641976
4-[2-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrimidin-5-yl]benzamide
CID 58653217
(5R)-2-(4-hydroxycyclohexyl)-9-[4-(isocyanomethyl)phenyl]-2,9-diazaspiro[4.5]decan-1-one
CID 58653261
2-(2-methoxyethyl)-9-(pyridine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 155855059
(5R)-2-(4-hydroxycyclohexyl)-9-[5-(hydroxymethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one
CID 58653425
(5S)-2-(6-methoxypyridine-3-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97195142

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxycyclohexyl)-9-(pyridine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-(4-hydroxycyclohexyl)-9-(pyridine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one (CID 11689002) is 2-(4-hydroxycyclohexyl)-9-(pyridine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-(4-hydroxycyclohexyl)-9-(pyridine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-(4-hydroxycyclohexyl)-9-(pyridine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one is O=C(c1ccncc1)N1CCCC2(CCN(C3CCC(O)CC3)C2=O)C1.
What is the InChIKey of 2-(4-hydroxycyclohexyl)-9-(pyridine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is VXTDODPXGXBTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c24-17-4-2-16(3-5-17)23-13-9-20(19(23)26)8-1-12-22(14-20)18(25)15-6-10-21-11-7-15/h6-7,10-11,16-17,24H,1-5,8-9,12-14H2.
What are the key properties of 2-(4-hydroxycyclohexyl)-9-(pyridine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one?
2-(4-hydroxycyclohexyl)-9-(pyridine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 357.45 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxycyclohexyl)-9-(pyridine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 11689002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).