(5R)-7-[6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

C16H23N5O3 — CID 95866752

IUPAC(5R)-7-[6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESCN1C[C@]2(CCN(c3cc(N4CCC(O)CC4)ncn3)C2)OC1=O
InChIInChI=1S/C16H23N5O3/c1-19-9-16(24-15(19)23)4-7-21(10-16)14-8-13(17-11-18-14)20-5-2-12(22)3-6-20/h8,11-12,22H,2-7,9-10H2,1H3/t16-/m0/s1
InChIKeyXTMAYJWHESCCQA-INIZCTEOSA-N
MW333.39 g/mol
LogP0.47
Rot. Bonds2

About (5R)-7-[6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

(5R)-7-[6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (PubChem CID 95866752) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is (5R)-7-[6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name(5R)-7-[6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
PubChem CID95866752
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name(5R)-7-[6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESCN1C[C@]2(CCN(c3cc(N4CCC(O)CC4)ncn3)C2)OC1=O
InChIInChI=1S/C16H23N5O3/c1-19-9-16(24-15(19)23)4-7-21(10-16)14-8-13(17-11-18-14)20-5-2-12(22)3-6-20/h8,11-12,22H,2-7,9-10H2,1H3/t16-/m0/s1
InChIKeyXTMAYJWHESCCQA-INIZCTEOSA-N
XLogP0.47
TPSA82.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5R)-7-[6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The IUPAC name of (5R)-7-[6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (CID 95866752) is (5R)-7-[6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.
What is the SMILES notation for (5R)-7-[6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The canonical SMILES for (5R)-7-[6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is CN1C[C@]2(CCN(c3cc(N4CCC(O)CC4)ncn3)C2)OC1=O.
What is the InChIKey of (5R)-7-[6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The InChIKey is XTMAYJWHESCCQA-INIZCTEOSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-19-9-16(24-15(19)23)4-7-21(10-16)14-8-13(17-11-18-14)20-5-2-12(22)3-6-20/h8,11-12,22H,2-7,9-10H2,1H3/t16-/m0/s1.
What are the key properties of (5R)-7-[6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
(5R)-7-[6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one has a molecular weight of 333.39 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-[6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 95866752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).