1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide

C29H28N4O3 — CID 90519570

IUPAC1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccc(-c2cc(N3CCC(C(=O)Nc4ccc(Oc5ccccc5)cc4)CC3)ncn2)cc1
InChIInChI=1S/C29H28N4O3/c1-35-24-11-7-21(8-12-24)27-19-28(31-20-30-27)33-17-15-22(16-18-33)29(34)32-23-9-13-26(14-10-23)36-25-5-3-2-4-6-25/h2-14,19-20,22H,15-18H2,1H3,(H,32,34)
InChIKeyPXOSTVAGQCNNMB-UHFFFAOYSA-N
MW480.57 g/mol
LogP5.80
Rot. Bonds7

About 1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide

1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide (PubChem CID 90519570) has the molecular formula C29H28N4O3 and a molecular weight of 480.57 g/mol. Its IUPAC name is 1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
PubChem CID90519570
Molecular FormulaC29H28N4O3
Molecular Weight480.57 g/mol
Exact Mass480.22
IUPAC Name1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccc(-c2cc(N3CCC(C(=O)Nc4ccc(Oc5ccccc5)cc4)CC3)ncn2)cc1
InChIInChI=1S/C29H28N4O3/c1-35-24-11-7-21(8-12-24)27-19-28(31-20-30-27)33-17-15-22(16-18-33)29(34)32-23-9-13-26(14-10-23)36-25-5-3-2-4-6-25/h2-14,19-20,22H,15-18H2,1H3,(H,32,34)
InChIKeyPXOSTVAGQCNNMB-UHFFFAOYSA-N
XLogP5.80
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.57
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide 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

1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 53061970
N-(3,5-dimethoxyphenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53062028
N-phenyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53062015
N-(4-phenoxyphenyl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168173
N-(3-methoxyphenyl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062144
ethyl 4-[[1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-4-carbonyl]amino]benzoate
CID 90519480
N-[2-[[4-(cyclopropanecarbonylamino)benzoyl]amino]ethyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90519659
N-(4-anilinophenyl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519895
1-[1-[6-(4-phenoxyphenyl)pyrimidin-4-yl]piperidin-4-yl]-3-phenylurea
CID 171350703
1-(6-phenylpyrimidin-4-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 90518997
1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 53061964
[1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 90519445

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide (CID 90519570) is 1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide is COc1ccc(-c2cc(N3CCC(C(=O)Nc4ccc(Oc5ccccc5)cc4)CC3)ncn2)cc1.
What is the InChIKey of 1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide?
The InChIKey is PXOSTVAGQCNNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O3/c1-35-24-11-7-21(8-12-24)27-19-28(31-20-30-27)33-17-15-22(16-18-33)29(34)32-23-9-13-26(14-10-23)36-25-5-3-2-4-6-25/h2-14,19-20,22H,15-18H2,1H3,(H,32,34).
What are the key properties of 1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide?
1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide has a molecular weight of 480.57 g/mol, XLogP of 5.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 90519570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).