N-(4-piperidin-1-ylphenyl)quinoline-2-carboxamide

C21H21N3O — CID 2415002

IUPACN-(4-piperidin-1-ylphenyl)quinoline-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)c1ccc2ccccc2n1
InChIInChI=1S/C21H21N3O/c25-21(20-13-8-16-6-2-3-7-19(16)23-20)22-17-9-11-18(12-10-17)24-14-4-1-5-15-24/h2-3,6-13H,1,4-5,14-15H2,(H,22,25)
InChIKeyYJHVUWMPEWYYIX-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.48
Rot. Bonds3

About N-(4-piperidin-1-ylphenyl)quinoline-2-carboxamide

N-(4-piperidin-1-ylphenyl)quinoline-2-carboxamide (PubChem CID 2415002) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(4-piperidin-1-ylphenyl)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(4-piperidin-1-ylphenyl)quinoline-2-carboxamide
PubChem CID2415002
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC NameN-(4-piperidin-1-ylphenyl)quinoline-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)c1ccc2ccccc2n1
InChIInChI=1S/C21H21N3O/c25-21(20-13-8-16-6-2-3-7-19(16)23-20)22-17-9-11-18(12-10-17)24-14-4-1-5-15-24/h2-3,6-13H,1,4-5,14-15H2,(H,22,25)
InChIKeyYJHVUWMPEWYYIX-UHFFFAOYSA-N
XLogP4.48
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-1-ylphenyl)quinoline-2-carboxamide?
The IUPAC name of N-(4-piperidin-1-ylphenyl)quinoline-2-carboxamide (CID 2415002) is N-(4-piperidin-1-ylphenyl)quinoline-2-carboxamide.
What is the SMILES notation for N-(4-piperidin-1-ylphenyl)quinoline-2-carboxamide?
The canonical SMILES for N-(4-piperidin-1-ylphenyl)quinoline-2-carboxamide is O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc2ccccc2n1.
What is the InChIKey of N-(4-piperidin-1-ylphenyl)quinoline-2-carboxamide?
The InChIKey is YJHVUWMPEWYYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c25-21(20-13-8-16-6-2-3-7-19(16)23-20)22-17-9-11-18(12-10-17)24-14-4-1-5-15-24/h2-3,6-13H,1,4-5,14-15H2,(H,22,25).
What are the key properties of N-(4-piperidin-1-ylphenyl)quinoline-2-carboxamide?
N-(4-piperidin-1-ylphenyl)quinoline-2-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-1-ylphenyl)quinoline-2-carboxamide is sourced from PubChem (CID 2415002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).