9-hydroxy-3-[(4S)-4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one

C18H23N3O5 — CID 70765166

IUPAC9-hydroxy-3-[(4S)-4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCOC[C@]1(O)CCN(C(=O)c2cnc3c(O)cccn3c2=O)CC1(C)C
InChIInChI=1S/C18H23N3O5/c1-17(2)10-20(8-6-18(17,25)11-26-3)15(23)12-9-19-14-13(22)5-4-7-21(14)16(12)24/h4-5,7,9,22,25H,6,8,10-11H2,1-3H3/t18-/m1/s1
InChIKeyADXRMKCTHYHFLC-GOSISDBHSA-N
MW361.40 g/mol
LogP0.65
Rot. Bonds3

About 9-hydroxy-3-[(4S)-4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one

9-hydroxy-3-[(4S)-4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 70765166) has the molecular formula C18H23N3O5 and a molecular weight of 361.40 g/mol. Its IUPAC name is 9-hydroxy-3-[(4S)-4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-hydroxy-3-[(4S)-4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID70765166
Molecular FormulaC18H23N3O5
Molecular Weight361.40 g/mol
Exact Mass361.16
IUPAC Name9-hydroxy-3-[(4S)-4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCOC[C@]1(O)CCN(C(=O)c2cnc3c(O)cccn3c2=O)CC1(C)C
InChIInChI=1S/C18H23N3O5/c1-17(2)10-20(8-6-18(17,25)11-26-3)15(23)12-9-19-14-13(22)5-4-7-21(14)16(12)24/h4-5,7,9,22,25H,6,8,10-11H2,1-3H3/t18-/m1/s1
InChIKeyADXRMKCTHYHFLC-GOSISDBHSA-N
XLogP0.65
TPSA104.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-3-[(4S)-4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-hydroxy-3-[(4S)-4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one (CID 70765166) is 9-hydroxy-3-[(4S)-4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-hydroxy-3-[(4S)-4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-hydroxy-3-[(4S)-4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one is COC[C@]1(O)CCN(C(=O)c2cnc3c(O)cccn3c2=O)CC1(C)C.
What is the InChIKey of 9-hydroxy-3-[(4S)-4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ADXRMKCTHYHFLC-GOSISDBHSA-N. The full InChI is InChI=1S/C18H23N3O5/c1-17(2)10-20(8-6-18(17,25)11-26-3)15(23)12-9-19-14-13(22)5-4-7-21(14)16(12)24/h4-5,7,9,22,25H,6,8,10-11H2,1-3H3/t18-/m1/s1.
What are the key properties of 9-hydroxy-3-[(4S)-4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
9-hydroxy-3-[(4S)-4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 361.40 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-3-[(4S)-4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 70765166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).