N-[2-(4-methoxyphenoxy)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide

C22H26N6O3 — CID 90520662

IUPACN-[2-(4-methoxyphenoxy)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
SMILESCOc1ccc(OCCNC(=O)C2CCCN(c3cc(-n4cccn4)ncn3)C2)cc1
InChIInChI=1S/C22H26N6O3/c1-30-18-5-7-19(8-6-18)31-13-10-23-22(29)17-4-2-11-27(15-17)20-14-21(25-16-24-20)28-12-3-9-26-28/h3,5-9,12,14,16-17H,2,4,10-11,13,15H2,1H3,(H,23,29)
InChIKeyJLTNJEWDTLYFGL-UHFFFAOYSA-N
MW422.49 g/mol
LogP2.08
Rot. Bonds8

About N-[2-(4-methoxyphenoxy)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide

N-[2-(4-methoxyphenoxy)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 90520662) has the molecular formula C22H26N6O3 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID90520662
Molecular FormulaC22H26N6O3
Molecular Weight422.49 g/mol
Exact Mass422.21
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
SMILESCOc1ccc(OCCNC(=O)C2CCCN(c3cc(-n4cccn4)ncn3)C2)cc1
InChIInChI=1S/C22H26N6O3/c1-30-18-5-7-19(8-6-18)31-13-10-23-22(29)17-4-2-11-27(15-17)20-14-21(25-16-24-20)28-12-3-9-26-28/h3,5-9,12,14,16-17H,2,4,10-11,13,15H2,1H3,(H,23,29)
InChIKeyJLTNJEWDTLYFGL-UHFFFAOYSA-N
XLogP2.08
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90520628
N-(2-phenoxyethyl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 71810880
N-(3,5-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90520586
(3R)-N-[(2-methoxyphenyl)methyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 95369281
1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 90520568
N-(3,4-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90520509
(3R)-1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 95369261
N-[(2-fluorophenyl)methyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 56764965
1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-[2-(4-methylphenoxy)ethyl]piperidine-3-carboxamide
CID 121071116
1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-pyridin-4-ylpiperidine-3-carboxamide
CID 90520525
(3S)-N-(3-chloro-4-methylphenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 95369280
N-[4-(2-acetamidoethoxy)phenyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90600835

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide (CID 90520662) is N-[2-(4-methoxyphenoxy)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide is COc1ccc(OCCNC(=O)C2CCCN(c3cc(-n4cccn4)ncn3)C2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is JLTNJEWDTLYFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3/c1-30-18-5-7-19(8-6-18)31-13-10-23-22(29)17-4-2-11-27(15-17)20-14-21(25-16-24-20)28-12-3-9-26-28/h3,5-9,12,14,16-17H,2,4,10-11,13,15H2,1H3,(H,23,29).
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide?
N-[2-(4-methoxyphenoxy)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 90520662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).