1-[4-[5-(3-methoxyphenyl)-2-pyridin-4-yl-1,2-dihydropyrimidin-6-yl]piperidin-1-yl]-2-phenoxypropan-1-one

C30H32N4O3 — CID 134408234

IUPAC1-[4-[5-(3-methoxyphenyl)-2-pyridin-4-yl-1,2-dihydropyrimidin-6-yl]piperidin-1-yl]-2-phenoxypropan-1-one
SMILESCOc1cccc(C2=C(C3CCN(C(=O)C(C)Oc4ccccc4)CC3)NC(c3ccncc3)N=C2)c1
InChIInChI=1S/C30H32N4O3/c1-21(37-25-8-4-3-5-9-25)30(35)34-17-13-22(14-18-34)28-27(24-7-6-10-26(19-24)36-2)20-32-29(33-28)23-11-15-31-16-12-23/h3-12,15-16,19-22,29,33H,13-14,17-18H2,1-2H3
InChIKeyRXFHJNUQFBKIJD-UHFFFAOYSA-N
MW496.61 g/mol
LogP4.88
Rot. Bonds7

About 1-[4-[5-(3-methoxyphenyl)-2-pyridin-4-yl-1,2-dihydropyrimidin-6-yl]piperidin-1-yl]-2-phenoxypropan-1-one

1-[4-[5-(3-methoxyphenyl)-2-pyridin-4-yl-1,2-dihydropyrimidin-6-yl]piperidin-1-yl]-2-phenoxypropan-1-one (PubChem CID 134408234) has the molecular formula C30H32N4O3 and a molecular weight of 496.61 g/mol. Its IUPAC name is 1-[4-[5-(3-methoxyphenyl)-2-pyridin-4-yl-1,2-dihydropyrimidin-6-yl]piperidin-1-yl]-2-phenoxypropan-1-one.

Molecular Properties

Compound Name1-[4-[5-(3-methoxyphenyl)-2-pyridin-4-yl-1,2-dihydropyrimidin-6-yl]piperidin-1-yl]-2-phenoxypropan-1-one
PubChem CID134408234
Molecular FormulaC30H32N4O3
Molecular Weight496.61 g/mol
Exact Mass496.25
IUPAC Name1-[4-[5-(3-methoxyphenyl)-2-pyridin-4-yl-1,2-dihydropyrimidin-6-yl]piperidin-1-yl]-2-phenoxypropan-1-one
SMILESCOc1cccc(C2=C(C3CCN(C(=O)C(C)Oc4ccccc4)CC3)NC(c3ccncc3)N=C2)c1
InChIInChI=1S/C30H32N4O3/c1-21(37-25-8-4-3-5-9-25)30(35)34-17-13-22(14-18-34)28-27(24-7-6-10-26(19-24)36-2)20-32-29(33-28)23-11-15-31-16-12-23/h3-12,15-16,19-22,29,33H,13-14,17-18H2,1-2H3
InChIKeyRXFHJNUQFBKIJD-UHFFFAOYSA-N
XLogP4.88
TPSA76.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.61
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[5-(3-methoxyphenyl)-2-pyridin-4-yl-1,2-dihydropyrimidin-6-yl]piperidin-1-yl]-2-phenoxypropan-1-one with MolForge

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Related Compounds

1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenoxy)propan-1-one
CID 43905657
(2R)-1-(4-methylpiperidin-1-yl)-2-phenoxypropan-1-one
CID 670229
2-[1-[2-(3-methoxyphenoxy)propanoyl]piperidin-4-yl]quinoline-3-carboxamide
CID 110237795
(2S)-2-phenoxy-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one
CID 95984069
1-(4-hydroxypiperidin-1-yl)-2-(4-phenylphenoxy)propan-1-one
CID 110888002
methyl 1-(2-phenoxypropanoyl)piperidine-4-carboxylate
CID 3927625
5-[1-(2-phenoxypropanoyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide
CID 91628861
1-(4-aminopiperidin-1-yl)-2-(4-phenylphenoxy)propan-1-one
CID 119376748
2-phenoxy-1-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 121058263
1-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-2-phenoxypropan-1-one
CID 75479278
(2R)-2-phenoxy-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propan-1-one
CID 124731707
1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenoxypropan-1-one
CID 121161322

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(3-methoxyphenyl)-2-pyridin-4-yl-1,2-dihydropyrimidin-6-yl]piperidin-1-yl]-2-phenoxypropan-1-one?
The IUPAC name of 1-[4-[5-(3-methoxyphenyl)-2-pyridin-4-yl-1,2-dihydropyrimidin-6-yl]piperidin-1-yl]-2-phenoxypropan-1-one (CID 134408234) is 1-[4-[5-(3-methoxyphenyl)-2-pyridin-4-yl-1,2-dihydropyrimidin-6-yl]piperidin-1-yl]-2-phenoxypropan-1-one.
What is the SMILES notation for 1-[4-[5-(3-methoxyphenyl)-2-pyridin-4-yl-1,2-dihydropyrimidin-6-yl]piperidin-1-yl]-2-phenoxypropan-1-one?
The canonical SMILES for 1-[4-[5-(3-methoxyphenyl)-2-pyridin-4-yl-1,2-dihydropyrimidin-6-yl]piperidin-1-yl]-2-phenoxypropan-1-one is COc1cccc(C2=C(C3CCN(C(=O)C(C)Oc4ccccc4)CC3)NC(c3ccncc3)N=C2)c1.
What is the InChIKey of 1-[4-[5-(3-methoxyphenyl)-2-pyridin-4-yl-1,2-dihydropyrimidin-6-yl]piperidin-1-yl]-2-phenoxypropan-1-one?
The InChIKey is RXFHJNUQFBKIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O3/c1-21(37-25-8-4-3-5-9-25)30(35)34-17-13-22(14-18-34)28-27(24-7-6-10-26(19-24)36-2)20-32-29(33-28)23-11-15-31-16-12-23/h3-12,15-16,19-22,29,33H,13-14,17-18H2,1-2H3.
What are the key properties of 1-[4-[5-(3-methoxyphenyl)-2-pyridin-4-yl-1,2-dihydropyrimidin-6-yl]piperidin-1-yl]-2-phenoxypropan-1-one?
1-[4-[5-(3-methoxyphenyl)-2-pyridin-4-yl-1,2-dihydropyrimidin-6-yl]piperidin-1-yl]-2-phenoxypropan-1-one has a molecular weight of 496.61 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(3-methoxyphenyl)-2-pyridin-4-yl-1,2-dihydropyrimidin-6-yl]piperidin-1-yl]-2-phenoxypropan-1-one is sourced from PubChem (CID 134408234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).