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

C22H26N6O2 — CID 90520628

IUPACN-[2-(3-methoxyphenyl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
SMILESCOc1cccc(CCNC(=O)C2CCCN(c3cc(-n4cccn4)ncn3)C2)c1
InChIInChI=1S/C22H26N6O2/c1-30-19-7-2-5-17(13-19)8-10-23-22(29)18-6-3-11-27(15-18)20-14-21(25-16-24-20)28-12-4-9-26-28/h2,4-5,7,9,12-14,16,18H,3,6,8,10-11,15H2,1H3,(H,23,29)
InChIKeyRYRVYSSNLLJFAH-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.25
Rot. Bonds7

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

N-[2-(3-methoxyphenyl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 90520628) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID90520628
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
SMILESCOc1cccc(CCNC(=O)C2CCCN(c3cc(-n4cccn4)ncn3)C2)c1
InChIInChI=1S/C22H26N6O2/c1-30-19-7-2-5-17(13-19)8-10-23-22(29)18-6-3-11-27(15-18)20-14-21(25-16-24-20)28-12-4-9-26-28/h2,4-5,7,9,12-14,16,18H,3,6,8,10-11,15H2,1H3,(H,23,29)
InChIKeyRYRVYSSNLLJFAH-UHFFFAOYSA-N
XLogP2.25
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4-methoxyphenoxy)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90520662
N-(3,5-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90520586
1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 90520568
(3R)-N-[(2-methoxyphenyl)methyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 95369281
N-(3,4-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90520509
N-[2-(4-methoxyphenyl)ethyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519783
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-[2-(3-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 90612016
N-[(2-fluorophenyl)methyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 56764965
(3R)-1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 95369261
N-[2-(3-methoxyphenyl)ethyl]-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide
CID 53043839
(3S)-N-[(3-methoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452514
1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-pyridin-4-ylpiperidine-3-carboxamide
CID 90520525

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide (CID 90520628) is N-[2-(3-methoxyphenyl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide is COc1cccc(CCNC(=O)C2CCCN(c3cc(-n4cccn4)ncn3)C2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is RYRVYSSNLLJFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-30-19-7-2-5-17(13-19)8-10-23-22(29)18-6-3-11-27(15-18)20-14-21(25-16-24-20)28-12-4-9-26-28/h2,4-5,7,9,12-14,16,18H,3,6,8,10-11,15H2,1H3,(H,23,29).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide?
N-[2-(3-methoxyphenyl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 90520628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).