7-(4-aminopiperidin-1-yl)-2-(4-methoxy-3-methylphenyl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one

C21H26N3O2P — CID 144885162

IUPAC7-(4-aminopiperidin-1-yl)-2-(4-methoxy-3-methylphenyl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one
SMILESCOc1ccc(C2=CC(=O)N3C=C(N4CCC(N)CC4)C=CC3P2)cc1C
InChIInChI=1S/C21H26N3O2P/c1-14-11-15(3-5-18(14)26-2)19-12-20(25)24-13-17(4-6-21(24)27-19)23-9-7-16(22)8-10-23/h3-6,11-13,16,21,27H,7-10,22H2,1-2H3
InChIKeyKWDRELOHGLWMDX-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.03
Rot. Bonds3

About 7-(4-aminopiperidin-1-yl)-2-(4-methoxy-3-methylphenyl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one

7-(4-aminopiperidin-1-yl)-2-(4-methoxy-3-methylphenyl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one (PubChem CID 144885162) has the molecular formula C21H26N3O2P and a molecular weight of 383.43 g/mol. Its IUPAC name is 7-(4-aminopiperidin-1-yl)-2-(4-methoxy-3-methylphenyl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one.

Molecular Properties

Compound Name7-(4-aminopiperidin-1-yl)-2-(4-methoxy-3-methylphenyl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one
PubChem CID144885162
Molecular FormulaC21H26N3O2P
Molecular Weight383.43 g/mol
Exact Mass383.18
IUPAC Name7-(4-aminopiperidin-1-yl)-2-(4-methoxy-3-methylphenyl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one
SMILESCOc1ccc(C2=CC(=O)N3C=C(N4CCC(N)CC4)C=CC3P2)cc1C
InChIInChI=1S/C21H26N3O2P/c1-14-11-15(3-5-18(14)26-2)19-12-20(25)24-13-17(4-6-21(24)27-19)23-9-7-16(22)8-10-23/h3-6,11-13,16,21,27H,7-10,22H2,1-2H3
InChIKeyKWDRELOHGLWMDX-UHFFFAOYSA-N
XLogP3.03
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

butane;7-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(4-methoxy-3-methylphenyl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one;ethane
CID 144885290
7-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-(3-fluoro-4-methoxyphenyl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one
CID 142362190
2-(3-butan-2-yl-4-methoxyphenyl)-7-[(2R)-2-methylpiperazin-1-yl]-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one
CID 135158885
2-(3,4-dimethoxyphenyl)-7-[4-(dimethylamino)cyclohexen-1-yl]-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one
CID 144885475
2-(4-methoxy-3-methylphenyl)-9-methyl-7-(1,2,3,6-tetrahydropyridin-4-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one
CID 144885512
2-(8-fluoro-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-7-(4-methyl-1,4-diazepan-1-yl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one
CID 135158748
1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-amine
CID 28804121
[(3R)-3-aminopyrrolidin-1-yl]-(4-methoxy-3-methylphenyl)methanone
CID 129462233
1-(2-methoxyphenyl)piperidin-4-amine
CID 24708477
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
(E)-3-(4-methoxy-3-methylphenyl)-1-[2-methyl-5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2H-pyridin-1-yl]but-2-en-1-one
CID 144885334
cyclopropanamine;4-fluoro-2-methoxy-1-methylbenzene
CID 145378951

Frequently Asked Questions

What is the IUPAC name of 7-(4-aminopiperidin-1-yl)-2-(4-methoxy-3-methylphenyl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one?
The IUPAC name of 7-(4-aminopiperidin-1-yl)-2-(4-methoxy-3-methylphenyl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one (CID 144885162) is 7-(4-aminopiperidin-1-yl)-2-(4-methoxy-3-methylphenyl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one.
What is the SMILES notation for 7-(4-aminopiperidin-1-yl)-2-(4-methoxy-3-methylphenyl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one?
The canonical SMILES for 7-(4-aminopiperidin-1-yl)-2-(4-methoxy-3-methylphenyl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one is COc1ccc(C2=CC(=O)N3C=C(N4CCC(N)CC4)C=CC3P2)cc1C.
What is the InChIKey of 7-(4-aminopiperidin-1-yl)-2-(4-methoxy-3-methylphenyl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one?
The InChIKey is KWDRELOHGLWMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N3O2P/c1-14-11-15(3-5-18(14)26-2)19-12-20(25)24-13-17(4-6-21(24)27-19)23-9-7-16(22)8-10-23/h3-6,11-13,16,21,27H,7-10,22H2,1-2H3.
What are the key properties of 7-(4-aminopiperidin-1-yl)-2-(4-methoxy-3-methylphenyl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one?
7-(4-aminopiperidin-1-yl)-2-(4-methoxy-3-methylphenyl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one has a molecular weight of 383.43 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-aminopiperidin-1-yl)-2-(4-methoxy-3-methylphenyl)-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one is sourced from PubChem (CID 144885162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).