(5R)-2-(4-hydroxycyclohexyl)-9-[5-(hydroxymethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one

C20H29N3O3 — CID 58653425

IUPAC(5R)-2-(4-hydroxycyclohexyl)-9-[5-(hydroxymethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(C2CCC(O)CC2)CC[C@@]12CCCN(c1ccc(CO)cn1)C2
InChIInChI=1S/C20H29N3O3/c24-13-15-2-7-18(21-12-15)22-10-1-8-20(14-22)9-11-23(19(20)26)16-3-5-17(25)6-4-16/h2,7,12,16-17,24-25H,1,3-6,8-11,13-14H2/t16?,17?,20-/m1/s1
InChIKeyGKZRFNRVNZBJPR-LBXVMSDZSA-N
MW359.47 g/mol
LogP1.70
Rot. Bonds3

About (5R)-2-(4-hydroxycyclohexyl)-9-[5-(hydroxymethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one

(5R)-2-(4-hydroxycyclohexyl)-9-[5-(hydroxymethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 58653425) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is (5R)-2-(4-hydroxycyclohexyl)-9-[5-(hydroxymethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(5R)-2-(4-hydroxycyclohexyl)-9-[5-(hydroxymethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one
PubChem CID58653425
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name(5R)-2-(4-hydroxycyclohexyl)-9-[5-(hydroxymethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(C2CCC(O)CC2)CC[C@@]12CCCN(c1ccc(CO)cn1)C2
InChIInChI=1S/C20H29N3O3/c24-13-15-2-7-18(21-12-15)22-10-1-8-20(14-22)9-11-23(19(20)26)16-3-5-17(25)6-4-16/h2,7,12,16-17,24-25H,1,3-6,8-11,13-14H2/t16?,17?,20-/m1/s1
InChIKeyGKZRFNRVNZBJPR-LBXVMSDZSA-N
XLogP1.70
TPSA76.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (5R)-2-(4-hydroxycyclohexyl)-9-[5-(hydroxymethyl)-2-pyridinyl]-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

Frequently Asked Questions

What is the IUPAC name of (5R)-2-(4-hydroxycyclohexyl)-9-[5-(hydroxymethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of (5R)-2-(4-hydroxycyclohexyl)-9-[5-(hydroxymethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one (CID 58653425) is (5R)-2-(4-hydroxycyclohexyl)-9-[5-(hydroxymethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for (5R)-2-(4-hydroxycyclohexyl)-9-[5-(hydroxymethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for (5R)-2-(4-hydroxycyclohexyl)-9-[5-(hydroxymethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one is O=C1N(C2CCC(O)CC2)CC[C@@]12CCCN(c1ccc(CO)cn1)C2.
What is the InChIKey of (5R)-2-(4-hydroxycyclohexyl)-9-[5-(hydroxymethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is GKZRFNRVNZBJPR-LBXVMSDZSA-N. The full InChI is InChI=1S/C20H29N3O3/c24-13-15-2-7-18(21-12-15)22-10-1-8-20(14-22)9-11-23(19(20)26)16-3-5-17(25)6-4-16/h2,7,12,16-17,24-25H,1,3-6,8-11,13-14H2/t16?,17?,20-/m1/s1.
What are the key properties of (5R)-2-(4-hydroxycyclohexyl)-9-[5-(hydroxymethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one?
(5R)-2-(4-hydroxycyclohexyl)-9-[5-(hydroxymethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 359.47 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(4-hydroxycyclohexyl)-9-[5-(hydroxymethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 58653425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).