1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide

C25H28N4O2 — CID 90519752

IUPAC1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCOc1ccc(-c2cc(N3CCCC(C(=O)NCc4ccc(C)cc4)C3)ncn2)cc1
InChIInChI=1S/C25H28N4O2/c1-18-5-7-19(8-6-18)15-26-25(30)21-4-3-13-29(16-21)24-14-23(27-17-28-24)20-9-11-22(31-2)12-10-20/h5-12,14,17,21H,3-4,13,15-16H2,1-2H3,(H,26,30)
InChIKeyGOTFOUQSNROBSZ-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.99
Rot. Bonds6

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

1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 90519752) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
PubChem CID90519752
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCOc1ccc(-c2cc(N3CCCC(C(=O)NCc4ccc(C)cc4)C3)ncn2)cc1
InChIInChI=1S/C25H28N4O2/c1-18-5-7-19(8-6-18)15-26-25(30)21-4-3-13-29(16-21)24-14-23(27-17-28-24)20-9-11-22(31-2)12-10-20/h5-12,14,17,21H,3-4,13,15-16H2,1-2H3,(H,26,30)
InChIKeyGOTFOUQSNROBSZ-UHFFFAOYSA-N
XLogP3.99
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519783
N-cyclopropyl-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519842
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide
CID 122262582
N-[(4-methoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221424
N-(3,4-dimethoxyphenyl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519727
N-[(4-methoxyphenyl)methyl]-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 53071449
N-(3-chloro-2-methylphenyl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519790
N-[(2,5-dimethoxyphenyl)methyl]-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 53071367
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
(3S)-N-[(4-methoxyphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452707
1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-[2-(4-methylphenoxy)ethyl]piperidine-3-carboxamide
CID 121071116

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide (CID 90519752) is 1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide is COc1ccc(-c2cc(N3CCCC(C(=O)NCc4ccc(C)cc4)C3)ncn2)cc1.
What is the InChIKey of 1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is GOTFOUQSNROBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-18-5-7-19(8-6-18)15-26-25(30)21-4-3-13-29(16-21)24-14-23(27-17-28-24)20-9-11-22(31-2)12-10-20/h5-12,14,17,21H,3-4,13,15-16H2,1-2H3,(H,26,30).
What are the key properties of 1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide?
1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 416.53 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 90519752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).