1-(4-methoxypyrimidin-2-yl)-N-[(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide

C25H28N4O3 — CID 78892410

IUPAC1-(4-methoxypyrimidin-2-yl)-N-[(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccnc(N2CCC(C(=O)NCc3ccccc3OCc3ccccc3)CC2)n1
InChIInChI=1S/C25H28N4O3/c1-31-23-11-14-26-25(28-23)29-15-12-20(13-16-29)24(30)27-17-21-9-5-6-10-22(21)32-18-19-7-3-2-4-8-19/h2-11,14,20H,12-13,15-18H2,1H3,(H,27,30)
InChIKeySVRFJUFVCMBFKW-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.60
Rot. Bonds8

About 1-(4-methoxypyrimidin-2-yl)-N-[(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide

1-(4-methoxypyrimidin-2-yl)-N-[(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 78892410) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 1-(4-methoxypyrimidin-2-yl)-N-[(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methoxypyrimidin-2-yl)-N-[(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID78892410
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name1-(4-methoxypyrimidin-2-yl)-N-[(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccnc(N2CCC(C(=O)NCc3ccccc3OCc3ccccc3)CC2)n1
InChIInChI=1S/C25H28N4O3/c1-31-23-11-14-26-25(28-23)29-15-12-20(13-16-29)24(30)27-17-21-9-5-6-10-22(21)32-18-19-7-3-2-4-8-19/h2-11,14,20H,12-13,15-18H2,1H3,(H,27,30)
InChIKeySVRFJUFVCMBFKW-UHFFFAOYSA-N
XLogP3.60
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methoxypyrimidin-2-yl)-N-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 78852537
1-(4-methoxypyrimidin-2-yl)-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-4-carboxamide
CID 78890379
N-(2-acetamidoethyl)-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide
CID 31895955
1-(4-phenylmethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 122048489
1-(4-methoxypyrimidin-2-yl)-N-[2-(methylamino)propyl]piperidine-4-carboxamide
CID 120830016
N-[(2-methylphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53102218
N-[2-[(1S,2S)-2-cyclopropylcyclopropyl]ethyl]-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide
CID 167931722
1-(4-methoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 31968556
N-[2-(1H-imidazol-2-yl)ethyl]-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide
CID 126774946
N-[[4-fluoro-1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide
CID 165432135
N-[(2-methoxyphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121118870
N-ethyl-1-(4-methoxypyrimidin-2-yl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 78852719

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxypyrimidin-2-yl)-N-[(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-methoxypyrimidin-2-yl)-N-[(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide (CID 78892410) is 1-(4-methoxypyrimidin-2-yl)-N-[(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methoxypyrimidin-2-yl)-N-[(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-methoxypyrimidin-2-yl)-N-[(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide is COc1ccnc(N2CCC(C(=O)NCc3ccccc3OCc3ccccc3)CC2)n1.
What is the InChIKey of 1-(4-methoxypyrimidin-2-yl)-N-[(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is SVRFJUFVCMBFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-31-23-11-14-26-25(28-23)29-15-12-20(13-16-29)24(30)27-17-21-9-5-6-10-22(21)32-18-19-7-3-2-4-8-19/h2-11,14,20H,12-13,15-18H2,1H3,(H,27,30).
What are the key properties of 1-(4-methoxypyrimidin-2-yl)-N-[(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide?
1-(4-methoxypyrimidin-2-yl)-N-[(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxypyrimidin-2-yl)-N-[(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 78892410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).