N-(4-pyrazol-1-ylphenyl)-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide

C21H23N5O — CID 24791954

IUPACN-(4-pyrazol-1-ylphenyl)-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(-n2cccn2)cc1)C1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C21H23N5O/c27-21(24-18-5-7-20(8-6-18)26-13-3-12-23-26)17-9-14-25(15-10-17)16-19-4-1-2-11-22-19/h1-8,11-13,17H,9-10,14-16H2,(H,24,27)
InChIKeyALHPJJQJFLASKZ-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.12
Rot. Bonds5

About N-(4-pyrazol-1-ylphenyl)-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide

N-(4-pyrazol-1-ylphenyl)-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 24791954) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is N-(4-pyrazol-1-ylphenyl)-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-pyrazol-1-ylphenyl)-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
PubChem CID24791954
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC NameN-(4-pyrazol-1-ylphenyl)-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(-n2cccn2)cc1)C1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C21H23N5O/c27-21(24-18-5-7-20(8-6-18)26-13-3-12-23-26)17-9-14-25(15-10-17)16-19-4-1-2-11-22-19/h1-8,11-13,17H,9-10,14-16H2,(H,24,27)
InChIKeyALHPJJQJFLASKZ-UHFFFAOYSA-N
XLogP3.12
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-pyrazol-1-ylphenyl)-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of N-(4-pyrazol-1-ylphenyl)-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide (CID 24791954) is N-(4-pyrazol-1-ylphenyl)-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-pyrazol-1-ylphenyl)-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-pyrazol-1-ylphenyl)-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide is O=C(Nc1ccc(-n2cccn2)cc1)C1CCN(Cc2ccccn2)CC1.
What is the InChIKey of N-(4-pyrazol-1-ylphenyl)-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is ALHPJJQJFLASKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c27-21(24-18-5-7-20(8-6-18)26-13-3-12-23-26)17-9-14-25(15-10-17)16-19-4-1-2-11-22-19/h1-8,11-13,17H,9-10,14-16H2,(H,24,27).
What are the key properties of N-(4-pyrazol-1-ylphenyl)-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
N-(4-pyrazol-1-ylphenyl)-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrazol-1-ylphenyl)-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 24791954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).