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

C21H21N3O3 — CID 70743583

IUPAC3-[4-(2-methylphenoxy)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccccc1OC1CCN(C(=O)c2cnc3ccccn3c2=O)CC1
InChIInChI=1S/C21H21N3O3/c1-15-6-2-3-7-18(15)27-16-9-12-23(13-10-16)20(25)17-14-22-19-8-4-5-11-24(19)21(17)26/h2-8,11,14,16H,9-10,12-13H2,1H3
InChIKeyNFOIUYJQDNQNIL-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.69
Rot. Bonds3

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

3-[4-(2-methylphenoxy)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 70743583) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 3-[4-(2-methylphenoxy)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[4-(2-methylphenoxy)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID70743583
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name3-[4-(2-methylphenoxy)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccccc1OC1CCN(C(=O)c2cnc3ccccn3c2=O)CC1
InChIInChI=1S/C21H21N3O3/c1-15-6-2-3-7-18(15)27-16-9-12-23(13-10-16)20(25)17-14-22-19-8-4-5-11-24(19)21(17)26/h2-8,11,14,16H,9-10,12-13H2,1H3
InChIKeyNFOIUYJQDNQNIL-UHFFFAOYSA-N
XLogP2.69
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[4-(2-methylphenoxy)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperazine-1-carboxylate
CID 16614782
3-(4-benzoylpiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 42937784
3-(3-ethoxypiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 47736806
[2-(dimethylamino)phenyl]-[4-(2-methylphenoxy)piperidin-1-yl]methanone
CID 70772217
3-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 56702441
3-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 46472728
3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 46471244
3-(3-methylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119580673
1,5,7-trimethyl-3-[4-(2-methylphenoxy)piperidine-1-carbonyl]pyrrolo[3,2-c]pyridin-4-one
CID 155351702
3-(4-benzylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 16620986
3-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 102738479
3-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 24675717

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylphenoxy)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[4-(2-methylphenoxy)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one (CID 70743583) is 3-[4-(2-methylphenoxy)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[4-(2-methylphenoxy)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[4-(2-methylphenoxy)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one is Cc1ccccc1OC1CCN(C(=O)c2cnc3ccccn3c2=O)CC1.
What is the InChIKey of 3-[4-(2-methylphenoxy)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is NFOIUYJQDNQNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-15-6-2-3-7-18(15)27-16-9-12-23(13-10-16)20(25)17-14-22-19-8-4-5-11-24(19)21(17)26/h2-8,11,14,16H,9-10,12-13H2,1H3.
What are the key properties of 3-[4-(2-methylphenoxy)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
3-[4-(2-methylphenoxy)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 363.42 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylphenoxy)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 70743583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).