3-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

C20H26N4O3 — CID 95712374

IUPAC3-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2ncc(C(=O)N3CCC(N4CCC[C@H](O)C4)CC3)c(=O)n12
InChIInChI=1S/C20H26N4O3/c1-14-4-2-6-18-21-12-17(20(27)24(14)18)19(26)22-10-7-15(8-11-22)23-9-3-5-16(25)13-23/h2,4,6,12,15-16,25H,3,5,7-11,13H2,1H3/t16-/m0/s1
InChIKeyDUBVLLVHZDKLOV-INIZCTEOSA-N
MW370.45 g/mol
LogP1.06
Rot. Bonds2

About 3-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

3-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 95712374) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID95712374
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name3-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2ncc(C(=O)N3CCC(N4CCC[C@H](O)C4)CC3)c(=O)n12
InChIInChI=1S/C20H26N4O3/c1-14-4-2-6-18-21-12-17(20(27)24(14)18)19(26)22-10-7-15(8-11-22)23-9-3-5-16(25)13-23/h2,4,6,12,15-16,25H,3,5,7-11,13H2,1H3/t16-/m0/s1
InChIKeyDUBVLLVHZDKLOV-INIZCTEOSA-N
XLogP1.06
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (CID 95712374) is 3-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is Cc1cccc2ncc(C(=O)N3CCC(N4CCC[C@H](O)C4)CC3)c(=O)n12.
What is the InChIKey of 3-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is DUBVLLVHZDKLOV-INIZCTEOSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-14-4-2-6-18-21-12-17(20(27)24(14)18)19(26)22-10-7-15(8-11-22)23-9-3-5-16(25)13-23/h2,4,6,12,15-16,25H,3,5,7-11,13H2,1H3/t16-/m0/s1.
What are the key properties of 3-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
3-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 370.45 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 95712374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).