1-[4-[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]piperidin-1-yl]ethanone

C20H31N5O2 — CID 91910472

IUPAC1-[4-[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N2CCC3(CC2)CN(c2ncccn2)CC3CO)CC1
InChIInChI=1S/C20H31N5O2/c1-16(27)23-9-3-18(4-10-23)24-11-5-20(6-12-24)15-25(13-17(20)14-26)19-21-7-2-8-22-19/h2,7-8,17-18,26H,3-6,9-15H2,1H3
InChIKeyXOFICPIZWREYDF-UHFFFAOYSA-N
MW373.50 g/mol
LogP1.00
Rot. Bonds3

About 1-[4-[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]piperidin-1-yl]ethanone

1-[4-[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]piperidin-1-yl]ethanone (PubChem CID 91910472) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-[4-[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]piperidin-1-yl]ethanone
PubChem CID91910472
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC Name1-[4-[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N2CCC3(CC2)CN(c2ncccn2)CC3CO)CC1
InChIInChI=1S/C20H31N5O2/c1-16(27)23-9-3-18(4-10-23)24-11-5-20(6-12-24)15-25(13-17(20)14-26)19-21-7-2-8-22-19/h2,7-8,17-18,26H,3-6,9-15H2,1H3
InChIKeyXOFICPIZWREYDF-UHFFFAOYSA-N
XLogP1.00
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]piperidin-1-yl]ethanone 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 1-[4-[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]piperidin-1-yl]ethanone (CID 91910472) is 1-[4-[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(N2CCC3(CC2)CN(c2ncccn2)CC3CO)CC1.
What is the InChIKey of 1-[4-[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]piperidin-1-yl]ethanone?
The InChIKey is XOFICPIZWREYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O2/c1-16(27)23-9-3-18(4-10-23)24-11-5-20(6-12-24)15-25(13-17(20)14-26)19-21-7-2-8-22-19/h2,7-8,17-18,26H,3-6,9-15H2,1H3.
What are the key properties of 1-[4-[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]piperidin-1-yl]ethanone?
1-[4-[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]piperidin-1-yl]ethanone has a molecular weight of 373.50 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 91910472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).