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

C25H25N5O — CID 45228050

IUPACN-(4-pyrazol-1-ylphenyl)-1-(quinolin-2-ylmethyl)piperidine-2-carboxamide
SMILESO=C(Nc1ccc(-n2cccn2)cc1)C1CCCCN1Cc1ccc2ccccc2n1
InChIInChI=1S/C25H25N5O/c31-25(28-20-11-13-22(14-12-20)30-17-5-15-26-30)24-8-3-4-16-29(24)18-21-10-9-19-6-1-2-7-23(19)27-21/h1-2,5-7,9-15,17,24H,3-4,8,16,18H2,(H,28,31)
InChIKeyUMLPUGIUZXFAFX-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.41
Rot. Bonds5

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

N-(4-pyrazol-1-ylphenyl)-1-(quinolin-2-ylmethyl)piperidine-2-carboxamide (PubChem CID 45228050) has the molecular formula C25H25N5O and a molecular weight of 411.51 g/mol. Its IUPAC name is N-(4-pyrazol-1-ylphenyl)-1-(quinolin-2-ylmethyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-pyrazol-1-ylphenyl)-1-(quinolin-2-ylmethyl)piperidine-2-carboxamide
PubChem CID45228050
Molecular FormulaC25H25N5O
Molecular Weight411.51 g/mol
Exact Mass411.21
IUPAC NameN-(4-pyrazol-1-ylphenyl)-1-(quinolin-2-ylmethyl)piperidine-2-carboxamide
SMILESO=C(Nc1ccc(-n2cccn2)cc1)C1CCCCN1Cc1ccc2ccccc2n1
InChIInChI=1S/C25H25N5O/c31-25(28-20-11-13-22(14-12-20)30-17-5-15-26-30)24-8-3-4-16-29(24)18-21-10-9-19-6-1-2-7-23(19)27-21/h1-2,5-7,9-15,17,24H,3-4,8,16,18H2,(H,28,31)
InChIKeyUMLPUGIUZXFAFX-UHFFFAOYSA-N
XLogP4.41
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.41
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-(quinolin-2-ylmethyl)piperidine-2-carboxamide?
The IUPAC name of N-(4-pyrazol-1-ylphenyl)-1-(quinolin-2-ylmethyl)piperidine-2-carboxamide (CID 45228050) is N-(4-pyrazol-1-ylphenyl)-1-(quinolin-2-ylmethyl)piperidine-2-carboxamide.
What is the SMILES notation for N-(4-pyrazol-1-ylphenyl)-1-(quinolin-2-ylmethyl)piperidine-2-carboxamide?
The canonical SMILES for N-(4-pyrazol-1-ylphenyl)-1-(quinolin-2-ylmethyl)piperidine-2-carboxamide is O=C(Nc1ccc(-n2cccn2)cc1)C1CCCCN1Cc1ccc2ccccc2n1.
What is the InChIKey of N-(4-pyrazol-1-ylphenyl)-1-(quinolin-2-ylmethyl)piperidine-2-carboxamide?
The InChIKey is UMLPUGIUZXFAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O/c31-25(28-20-11-13-22(14-12-20)30-17-5-15-26-30)24-8-3-4-16-29(24)18-21-10-9-19-6-1-2-7-23(19)27-21/h1-2,5-7,9-15,17,24H,3-4,8,16,18H2,(H,28,31).
What are the key properties of N-(4-pyrazol-1-ylphenyl)-1-(quinolin-2-ylmethyl)piperidine-2-carboxamide?
N-(4-pyrazol-1-ylphenyl)-1-(quinolin-2-ylmethyl)piperidine-2-carboxamide has a molecular weight of 411.51 g/mol, XLogP of 4.41, 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-(quinolin-2-ylmethyl)piperidine-2-carboxamide is sourced from PubChem (CID 45228050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).