8-[4-[(3S)-3-hydroxypiperidin-1-yl]pyrimidin-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C16H23N5O3 — CID 95147608

IUPAC8-[4-[(3S)-3-hydroxypiperidin-1-yl]pyrimidin-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCN(c3nccc(N4CCC[C@H](O)C4)n3)CC2)O1
InChIInChI=1S/C16H23N5O3/c22-12-2-1-7-21(10-12)13-3-6-17-14(19-13)20-8-4-16(5-9-20)11-18-15(23)24-16/h3,6,12,22H,1-2,4-5,7-11H2,(H,18,23)/t12-/m0/s1
InChIKeyKEEHLMLAPXLBRN-LBPRGKRZSA-N
MW333.39 g/mol
LogP0.52
Rot. Bonds2

About 8-[4-[(3S)-3-hydroxypiperidin-1-yl]pyrimidin-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[4-[(3S)-3-hydroxypiperidin-1-yl]pyrimidin-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 95147608) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 8-[4-[(3S)-3-hydroxypiperidin-1-yl]pyrimidin-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[4-[(3S)-3-hydroxypiperidin-1-yl]pyrimidin-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID95147608
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name8-[4-[(3S)-3-hydroxypiperidin-1-yl]pyrimidin-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCN(c3nccc(N4CCC[C@H](O)C4)n3)CC2)O1
InChIInChI=1S/C16H23N5O3/c22-12-2-1-7-21(10-12)13-3-6-17-14(19-13)20-8-4-16(5-9-20)11-18-15(23)24-16/h3,6,12,22H,1-2,4-5,7-11H2,(H,18,23)/t12-/m0/s1
InChIKeyKEEHLMLAPXLBRN-LBPRGKRZSA-N
XLogP0.52
TPSA90.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[4-[(3S)-3-hydroxypiperidin-1-yl]pyrimidin-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[4-[(3S)-3-hydroxypiperidin-1-yl]pyrimidin-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 95147608) is 8-[4-[(3S)-3-hydroxypiperidin-1-yl]pyrimidin-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[4-[(3S)-3-hydroxypiperidin-1-yl]pyrimidin-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[4-[(3S)-3-hydroxypiperidin-1-yl]pyrimidin-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is O=C1NCC2(CCN(c3nccc(N4CCC[C@H](O)C4)n3)CC2)O1.
What is the InChIKey of 8-[4-[(3S)-3-hydroxypiperidin-1-yl]pyrimidin-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is KEEHLMLAPXLBRN-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23N5O3/c22-12-2-1-7-21(10-12)13-3-6-17-14(19-13)20-8-4-16(5-9-20)11-18-15(23)24-16/h3,6,12,22H,1-2,4-5,7-11H2,(H,18,23)/t12-/m0/s1.
What are the key properties of 8-[4-[(3S)-3-hydroxypiperidin-1-yl]pyrimidin-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[4-[(3S)-3-hydroxypiperidin-1-yl]pyrimidin-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 333.39 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[(3S)-3-hydroxypiperidin-1-yl]pyrimidin-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 95147608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).