3-[4-(1-acetylpiperidin-4-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one

C21H26N4O3 — CID 155492026

IUPAC3-[4-(1-acetylpiperidin-4-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC(=O)N1CCC(C2CCN(C(=O)c3cnc4ccccn4c3=O)CC2)CC1
InChIInChI=1S/C21H26N4O3/c1-15(26)23-10-5-16(6-11-23)17-7-12-24(13-8-17)20(27)18-14-22-19-4-2-3-9-25(19)21(18)28/h2-4,9,14,16-17H,5-8,10-13H2,1H3
InChIKeyYOQGJVJYISGDFU-UHFFFAOYSA-N
MW382.46 g/mol
LogP1.81
Rot. Bonds2

About 3-[4-(1-acetylpiperidin-4-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one

3-[4-(1-acetylpiperidin-4-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 155492026) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 3-[4-(1-acetylpiperidin-4-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[4-(1-acetylpiperidin-4-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID155492026
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name3-[4-(1-acetylpiperidin-4-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC(=O)N1CCC(C2CCN(C(=O)c3cnc4ccccn4c3=O)CC2)CC1
InChIInChI=1S/C21H26N4O3/c1-15(26)23-10-5-16(6-11-23)17-7-12-24(13-8-17)20(27)18-14-22-19-4-2-3-9-25(19)21(18)28/h2-4,9,14,16-17H,5-8,10-13H2,1H3
InChIKeyYOQGJVJYISGDFU-UHFFFAOYSA-N
XLogP1.81
TPSA74.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-Methyl-3-(4-methylpiperidine-1-carbonyl)-4H-pyrido[1,2-A]pyrimidin-4-one
CID 53009360
3-(3,5-Dimethylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 24660068
(6S)-2-ethyl-10,10-difluoro-8-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
CID 124234358
(6R)-2-ethyl-10,10-difluoro-8-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
CID 124234359
2-Ethyl-10,10-difluoro-8-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
CID 133142755
3-{[7-(cyclohexylmethyl)-2,7-diazaspiro[4.5]dec-2-yl]carbonyl}-4H-pyrido[1,2-a]pyrimidin-4-one
CID 45226247
9-Methyl-3-(2-methylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 53009359
6-Methyl-3-(piperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 172332090
N-(1-aminoethylidene)-1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-3-carboximidamide
CID 172332093
3-[3-[1-[butyl-[(Z)-pent-1-enyl]amino]ethenyl]piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 172332100
1,3-Dimethyl-5-[[2-(4-methylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 3645881
3-(4-Methylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 16614680

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-acetylpiperidin-4-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[4-(1-acetylpiperidin-4-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one (CID 155492026) is 3-[4-(1-acetylpiperidin-4-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[4-(1-acetylpiperidin-4-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[4-(1-acetylpiperidin-4-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one is CC(=O)N1CCC(C2CCN(C(=O)c3cnc4ccccn4c3=O)CC2)CC1.
What is the InChIKey of 3-[4-(1-acetylpiperidin-4-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is YOQGJVJYISGDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-15(26)23-10-5-16(6-11-23)17-7-12-24(13-8-17)20(27)18-14-22-19-4-2-3-9-25(19)21(18)28/h2-4,9,14,16-17H,5-8,10-13H2,1H3.
What are the key properties of 3-[4-(1-acetylpiperidin-4-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
3-[4-(1-acetylpiperidin-4-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 382.46 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-acetylpiperidin-4-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 155492026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).