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

C20H26N4O3 — CID 56888942

IUPAC3-[4-(3-hydroxypiperidin-1-yl)piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2ncc(C(=O)N3CCC(N4CCCC(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
InChIKeyDUBVLLVHZDKLOV-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.06
Rot. Bonds2

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

3-[4-(3-hydroxypiperidin-1-yl)piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 56888942) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-[4-(3-hydroxypiperidin-1-yl)piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[4-(3-hydroxypiperidin-1-yl)piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID56888942
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name3-[4-(3-hydroxypiperidin-1-yl)piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2ncc(C(=O)N3CCC(N4CCCC(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
InChIKeyDUBVLLVHZDKLOV-UHFFFAOYSA-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

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

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Related Compounds

3-{[(3R*,4R*)-3-hydroxy-4-(hydroxymethyl)-1-piperidinyl]carbonyl}-6-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 56907202
3-({3-[(dimethylamino)methyl]-3-hydroxy-1-piperidinyl}carbonyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 56899519
3-(3-Hydroxypiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 43415912
3-[2-(Hydroxymethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 43421147
3-(3-Ethoxypiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 47736806
3-(3-Propoxypiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 53538552
3-[(3R)-3-propoxypiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 95136110
3-[(3S)-3-propoxypiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 95136111
3-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 95712374
3-[4-[(3R)-3-hydroxypiperidin-1-yl]piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 95712375
3-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 95724887
3-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 95724888

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-hydroxypiperidin-1-yl)piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[4-(3-hydroxypiperidin-1-yl)piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (CID 56888942) is 3-[4-(3-hydroxypiperidin-1-yl)piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[4-(3-hydroxypiperidin-1-yl)piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[4-(3-hydroxypiperidin-1-yl)piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is Cc1cccc2ncc(C(=O)N3CCC(N4CCCC(O)C4)CC3)c(=O)n12.
What is the InChIKey of 3-[4-(3-hydroxypiperidin-1-yl)piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is DUBVLLVHZDKLOV-UHFFFAOYSA-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.
What are the key properties of 3-[4-(3-hydroxypiperidin-1-yl)piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
3-[4-(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-(3-hydroxypiperidin-1-yl)piperidine-1-carbonyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 56888942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).