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

C22H37N5O — CID 91910450

IUPAC[8-[1-(2-methylpropyl)piperidin-4-yl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESCC(C)CN1CCC(N2CCC3(CC2)CN(c2ccncn2)CC3CO)CC1
InChIInChI=1S/C22H37N5O/c1-18(2)13-25-9-4-20(5-10-25)26-11-6-22(7-12-26)16-27(14-19(22)15-28)21-3-8-23-17-24-21/h3,8,17-20,28H,4-7,9-16H2,1-2H3
InChIKeySUNWMXASVFSVMV-UHFFFAOYSA-N
MW387.57 g/mol
LogP2.11
Rot. Bonds5

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

[8-[1-(2-methylpropyl)piperidin-4-yl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol (PubChem CID 91910450) has the molecular formula C22H37N5O and a molecular weight of 387.57 g/mol. Its IUPAC name is [8-[1-(2-methylpropyl)piperidin-4-yl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol.

Molecular Properties

Compound Name[8-[1-(2-methylpropyl)piperidin-4-yl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol
PubChem CID91910450
Molecular FormulaC22H37N5O
Molecular Weight387.57 g/mol
Exact Mass387.30
IUPAC Name[8-[1-(2-methylpropyl)piperidin-4-yl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESCC(C)CN1CCC(N2CCC3(CC2)CN(c2ccncn2)CC3CO)CC1
InChIInChI=1S/C22H37N5O/c1-18(2)13-25-9-4-20(5-10-25)26-11-6-22(7-12-26)16-27(14-19(22)15-28)21-3-8-23-17-24-21/h3,8,17-20,28H,4-7,9-16H2,1-2H3
InChIKeySUNWMXASVFSVMV-UHFFFAOYSA-N
XLogP2.11
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.57
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [8-[1-(2-methylpropyl)piperidin-4-yl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The IUPAC name of [8-[1-(2-methylpropyl)piperidin-4-yl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol (CID 91910450) is [8-[1-(2-methylpropyl)piperidin-4-yl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol.
What is the SMILES notation for [8-[1-(2-methylpropyl)piperidin-4-yl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The canonical SMILES for [8-[1-(2-methylpropyl)piperidin-4-yl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol is CC(C)CN1CCC(N2CCC3(CC2)CN(c2ccncn2)CC3CO)CC1.
What is the InChIKey of [8-[1-(2-methylpropyl)piperidin-4-yl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The InChIKey is SUNWMXASVFSVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N5O/c1-18(2)13-25-9-4-20(5-10-25)26-11-6-22(7-12-26)16-27(14-19(22)15-28)21-3-8-23-17-24-21/h3,8,17-20,28H,4-7,9-16H2,1-2H3.
What are the key properties of [8-[1-(2-methylpropyl)piperidin-4-yl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
[8-[1-(2-methylpropyl)piperidin-4-yl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol has a molecular weight of 387.57 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[1-(2-methylpropyl)piperidin-4-yl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol is sourced from PubChem (CID 91910450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).