N-(3,4-dimethoxyphenyl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide

C25H28N4O4 — CID 90519727

IUPACN-(3,4-dimethoxyphenyl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
SMILESCOc1ccc(-c2cc(N3CCCC(C(=O)Nc4ccc(OC)c(OC)c4)C3)ncn2)cc1
InChIInChI=1S/C25H28N4O4/c1-31-20-9-6-17(7-10-20)21-14-24(27-16-26-21)29-12-4-5-18(15-29)25(30)28-19-8-11-22(32-2)23(13-19)33-3/h6-11,13-14,16,18H,4-5,12,15H2,1-3H3,(H,28,30)
InChIKeyAURAWVPSNDTVHL-UHFFFAOYSA-N
MW448.52 g/mol
LogP4.02
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide

N-(3,4-dimethoxyphenyl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide (PubChem CID 90519727) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
PubChem CID90519727
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC NameN-(3,4-dimethoxyphenyl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
SMILESCOc1ccc(-c2cc(N3CCCC(C(=O)Nc4ccc(OC)c(OC)c4)C3)ncn2)cc1
InChIInChI=1S/C25H28N4O4/c1-31-20-9-6-17(7-10-20)21-14-24(27-16-26-21)29-12-4-5-18(15-29)25(30)28-19-8-11-22(32-2)23(13-19)33-3/h6-11,13-14,16,18H,4-5,12,15H2,1-3H3,(H,28,30)
InChIKeyAURAWVPSNDTVHL-UHFFFAOYSA-N
XLogP4.02
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(dimethylamino)phenyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519788
N-(4-anilinophenyl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519895
N-(9H-fluoren-2-yl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519855
N-cyclopropyl-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519842
1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 90519749
N-(3,4-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90520509
N-[2-(4-methoxyphenyl)ethyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519783
N-(3-chloro-2-methylphenyl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519790
(3S)-N-(4-methoxyphenyl)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055834
1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 90519752
N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519858
N-(5-chloro-2-methoxyphenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519286

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide (CID 90519727) is N-(3,4-dimethoxyphenyl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide is COc1ccc(-c2cc(N3CCCC(C(=O)Nc4ccc(OC)c(OC)c4)C3)ncn2)cc1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide?
The InChIKey is AURAWVPSNDTVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-31-20-9-6-17(7-10-20)21-14-24(27-16-26-21)29-12-4-5-18(15-29)25(30)28-19-8-11-22(32-2)23(13-19)33-3/h6-11,13-14,16,18H,4-5,12,15H2,1-3H3,(H,28,30).
What are the key properties of N-(3,4-dimethoxyphenyl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide?
N-(3,4-dimethoxyphenyl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide has a molecular weight of 448.52 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 90519727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).