3-[3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one

C17H22N4O3 — CID 56899519

IUPAC3-[3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCN(C)CC1(O)CCCN(C(=O)c2cnc3ccccn3c2=O)C1
InChIInChI=1S/C17H22N4O3/c1-19(2)11-17(24)7-5-8-20(12-17)15(22)13-10-18-14-6-3-4-9-21(14)16(13)23/h3-4,6,9-10,24H,5,7-8,11-12H2,1-2H3
InChIKeyYCPZXKMTKVKYIR-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.22
Rot. Bonds3

About 3-[3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one

3-[3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 56899519) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 3-[3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID56899519
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name3-[3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCN(C)CC1(O)CCCN(C(=O)c2cnc3ccccn3c2=O)C1
InChIInChI=1S/C17H22N4O3/c1-19(2)11-17(24)7-5-8-20(12-17)15(22)13-10-18-14-6-3-4-9-21(14)16(13)23/h3-4,6,9-10,24H,5,7-8,11-12H2,1-2H3
InChIKeyYCPZXKMTKVKYIR-UHFFFAOYSA-N
XLogP0.22
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-(3,5-Dimethylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 24660068
3-({4-[(dimethylamino)methyl]-4-hydroxy-1-azepanyl}carbonyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 56901404
9-Hydroxy-3-(piperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 121384865
3-(3-Methylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 16621167
3-(3-Hydroxypiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 43415912
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-[(3-hydroxy-1,4'-bipiperidin-1'-yl)carbonyl]-6-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 56888942
3-[4-(Hydroxymethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 60957389
3-(3-Hydroxy-3-propylazetidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 65930595
3-[4-[(Dimethylamino)methyl]piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 72025144

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one (CID 56899519) is 3-[3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one is CN(C)CC1(O)CCCN(C(=O)c2cnc3ccccn3c2=O)C1.
What is the InChIKey of 3-[3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is YCPZXKMTKVKYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-19(2)11-17(24)7-5-8-20(12-17)15(22)13-10-18-14-6-3-4-9-21(14)16(13)23/h3-4,6,9-10,24H,5,7-8,11-12H2,1-2H3.
What are the key properties of 3-[3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
3-[3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 330.39 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 56899519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).