N-[2-(4-methoxyphenyl)ethyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide

C26H30N4O3 — CID 90519783

IUPACN-[2-(4-methoxyphenyl)ethyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CCCN(c3cc(-c4ccc(OC)cc4)ncn3)C2)cc1
InChIInChI=1S/C26H30N4O3/c1-32-22-9-5-19(6-10-22)13-14-27-26(31)21-4-3-15-30(17-21)25-16-24(28-18-29-25)20-7-11-23(33-2)12-8-20/h5-12,16,18,21H,3-4,13-15,17H2,1-2H3,(H,27,31)
InChIKeyDGDGDPDNYUPGDT-UHFFFAOYSA-N
MW446.55 g/mol
LogP3.74
Rot. Bonds8

About N-[2-(4-methoxyphenyl)ethyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide (PubChem CID 90519783) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
PubChem CID90519783
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CCCN(c3cc(-c4ccc(OC)cc4)ncn3)C2)cc1
InChIInChI=1S/C26H30N4O3/c1-32-22-9-5-19(6-10-22)13-14-27-26(31)21-4-3-15-30(17-21)25-16-24(28-18-29-25)20-7-11-23(33-2)12-8-20/h5-12,16,18,21H,3-4,13-15,17H2,1-2H3,(H,27,31)
InChIKeyDGDGDPDNYUPGDT-UHFFFAOYSA-N
XLogP3.74
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 90519752
N-cyclopropyl-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519842
N-[2-(4-methoxyphenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3223369
N-(3,4-dimethoxyphenyl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519727
N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90519676
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-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide
CID 122262582
N-(3-chloro-2-methylphenyl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519790
N-[2-(3-methoxyphenyl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90520628
N-[2-(4-methoxyphenyl)ethyl]-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121104051
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 N-[2-(4-methoxyphenyl)ethyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide (CID 90519783) is N-[2-(4-methoxyphenyl)ethyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide is COc1ccc(CCNC(=O)C2CCCN(c3cc(-c4ccc(OC)cc4)ncn3)C2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide?
The InChIKey is DGDGDPDNYUPGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-32-22-9-5-19(6-10-22)13-14-27-26(31)21-4-3-15-30(17-21)25-16-24(28-18-29-25)20-7-11-23(33-2)12-8-20/h5-12,16,18,21H,3-4,13-15,17H2,1-2H3,(H,27,31).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide has a molecular weight of 446.55 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 90519783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).