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

C23H27N3O3 — CID 91923445

IUPAC[3-(hydroxymethyl)-8-(2-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone
SMILESCc1ncccc1C(=O)N1CCC2(CC1)CC(CO)N(C(=O)c1ccccc1)C2
InChIInChI=1S/C23H27N3O3/c1-17-20(8-5-11-24-17)22(29)25-12-9-23(10-13-25)14-19(15-27)26(16-23)21(28)18-6-3-2-4-7-18/h2-8,11,19,27H,9-10,12-16H2,1H3
InChIKeyOSZDACTXYLXKKG-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.52
Rot. Bonds3

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

[3-(hydroxymethyl)-8-(2-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone (PubChem CID 91923445) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is [3-(hydroxymethyl)-8-(2-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)-8-(2-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone
PubChem CID91923445
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name[3-(hydroxymethyl)-8-(2-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone
SMILESCc1ncccc1C(=O)N1CCC2(CC1)CC(CO)N(C(=O)c1ccccc1)C2
InChIInChI=1S/C23H27N3O3/c1-17-20(8-5-11-24-17)22(29)25-12-9-23(10-13-25)14-19(15-27)26(16-23)21(28)18-6-3-2-4-7-18/h2-8,11,19,27H,9-10,12-16H2,1H3
InChIKeyOSZDACTXYLXKKG-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

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Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-8-(2-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone?
The IUPAC name of [3-(hydroxymethyl)-8-(2-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone (CID 91923445) is [3-(hydroxymethyl)-8-(2-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone.
What is the SMILES notation for [3-(hydroxymethyl)-8-(2-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone?
The canonical SMILES for [3-(hydroxymethyl)-8-(2-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone is Cc1ncccc1C(=O)N1CCC2(CC1)CC(CO)N(C(=O)c1ccccc1)C2.
What is the InChIKey of [3-(hydroxymethyl)-8-(2-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone?
The InChIKey is OSZDACTXYLXKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-17-20(8-5-11-24-17)22(29)25-12-9-23(10-13-25)14-19(15-27)26(16-23)21(28)18-6-3-2-4-7-18/h2-8,11,19,27H,9-10,12-16H2,1H3.
What are the key properties of [3-(hydroxymethyl)-8-(2-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone?
[3-(hydroxymethyl)-8-(2-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-(2-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone is sourced from PubChem (CID 91923445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).