N-[(2,4-dimethoxyphenyl)methyl]-1-(2-phenylpyrimidin-4-yl)piperidine-4-carboxamide

C25H28N4O3 — CID 53078127

IUPACN-[(2,4-dimethoxyphenyl)methyl]-1-(2-phenylpyrimidin-4-yl)piperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCN(c3ccnc(-c4ccccc4)n3)CC2)c(OC)c1
InChIInChI=1S/C25H28N4O3/c1-31-21-9-8-20(22(16-21)32-2)17-27-25(30)19-11-14-29(15-12-19)23-10-13-26-24(28-23)18-6-4-3-5-7-18/h3-10,13,16,19H,11-12,14-15,17H2,1-2H3,(H,27,30)
InChIKeySVUMEOXPBKYEKD-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.69
Rot. Bonds7

About N-[(2,4-dimethoxyphenyl)methyl]-1-(2-phenylpyrimidin-4-yl)piperidine-4-carboxamide

N-[(2,4-dimethoxyphenyl)methyl]-1-(2-phenylpyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 53078127) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-1-(2-phenylpyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-1-(2-phenylpyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID53078127
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-1-(2-phenylpyrimidin-4-yl)piperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCN(c3ccnc(-c4ccccc4)n3)CC2)c(OC)c1
InChIInChI=1S/C25H28N4O3/c1-31-21-9-8-20(22(16-21)32-2)17-27-25(30)19-11-14-29(15-12-19)23-10-13-26-24(28-23)18-6-4-3-5-7-18/h3-10,13,16,19H,11-12,14-15,17H2,1-2H3,(H,27,30)
InChIKeySVUMEOXPBKYEKD-UHFFFAOYSA-N
XLogP3.69
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771237
N-[(2,4-dimethoxyphenyl)methyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 46857739
N-[(2,5-dimethoxyphenyl)methyl]-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 53071367
N-(3,4-dimethoxyphenyl)-1-(2-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53078117
N-[(4-methoxyphenyl)methyl]-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 53071449
N-[(2,5-dimethoxyphenyl)methyl]-1-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 53071409
N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide
CID 47161024
N-[(2,4-dimethoxyphenyl)methyl]-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 51691200
N-[(2,4-dimethoxyphenyl)methyl]-4-[(2-phenylpyrimidin-4-yl)amino]benzamide
CID 53078371
N-[(2,4-dimethoxyphenyl)methyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidine-4-carboxamide
CID 118754590
1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 53078019
N-[(2,4-dimethoxyphenyl)methyl]-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53070510

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-(2-phenylpyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-(2-phenylpyrimidin-4-yl)piperidine-4-carboxamide (CID 53078127) is N-[(2,4-dimethoxyphenyl)methyl]-1-(2-phenylpyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-1-(2-phenylpyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-1-(2-phenylpyrimidin-4-yl)piperidine-4-carboxamide is COc1ccc(CNC(=O)C2CCN(c3ccnc(-c4ccccc4)n3)CC2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-1-(2-phenylpyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is SVUMEOXPBKYEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-31-21-9-8-20(22(16-21)32-2)17-27-25(30)19-11-14-29(15-12-19)23-10-13-26-24(28-23)18-6-4-3-5-7-18/h3-10,13,16,19H,11-12,14-15,17H2,1-2H3,(H,27,30).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-1-(2-phenylpyrimidin-4-yl)piperidine-4-carboxamide?
N-[(2,4-dimethoxyphenyl)methyl]-1-(2-phenylpyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-1-(2-phenylpyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53078127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).