[3-(hydroxymethyl)-8-(6-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone

C23H27N3O3 — CID 91923439

IUPAC[3-(hydroxymethyl)-8-(6-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone
SMILESCc1ccc(C(=O)N2CCC3(CC2)CC(CO)N(C(=O)c2ccccc2)C3)cn1
InChIInChI=1S/C23H27N3O3/c1-17-7-8-19(14-24-17)21(28)25-11-9-23(10-12-25)13-20(15-27)26(16-23)22(29)18-5-3-2-4-6-18/h2-8,14,20,27H,9-13,15-16H2,1H3
InChIKeyWTSRVMCVVWDFDH-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.52
Rot. Bonds3

About [3-(hydroxymethyl)-8-(6-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone

[3-(hydroxymethyl)-8-(6-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone (PubChem CID 91923439) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is [3-(hydroxymethyl)-8-(6-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)-8-(6-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone
PubChem CID91923439
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name[3-(hydroxymethyl)-8-(6-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone
SMILESCc1ccc(C(=O)N2CCC3(CC2)CC(CO)N(C(=O)c2ccccc2)C3)cn1
InChIInChI=1S/C23H27N3O3/c1-17-7-8-19(14-24-17)21(28)25-11-9-23(10-12-25)13-20(15-27)26(16-23)22(29)18-5-3-2-4-6-18/h2-8,14,20,27H,9-13,15-16H2,1H3
InChIKeyWTSRVMCVVWDFDH-UHFFFAOYSA-N
XLogP2.52
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(hydroxymethyl)-8-(6-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone 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 [3-(hydroxymethyl)-8-(6-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone?
The IUPAC name of [3-(hydroxymethyl)-8-(6-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone (CID 91923439) is [3-(hydroxymethyl)-8-(6-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone.
What is the SMILES notation for [3-(hydroxymethyl)-8-(6-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone?
The canonical SMILES for [3-(hydroxymethyl)-8-(6-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone is Cc1ccc(C(=O)N2CCC3(CC2)CC(CO)N(C(=O)c2ccccc2)C3)cn1.
What is the InChIKey of [3-(hydroxymethyl)-8-(6-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone?
The InChIKey is WTSRVMCVVWDFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-17-7-8-19(14-24-17)21(28)25-11-9-23(10-12-25)13-20(15-27)26(16-23)22(29)18-5-3-2-4-6-18/h2-8,14,20,27H,9-13,15-16H2,1H3.
What are the key properties of [3-(hydroxymethyl)-8-(6-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone?
[3-(hydroxymethyl)-8-(6-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone has a molecular weight of 393.49 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-8-(6-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone is sourced from PubChem (CID 91923439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).