N-(4-piperidin-1-ylphenyl)-N'-quinolin-8-yloxamide

C22H22N4O2 — CID 108527715

IUPACN-(4-piperidin-1-ylphenyl)-N'-quinolin-8-yloxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C22H22N4O2/c27-21(22(28)25-19-8-4-6-16-7-5-13-23-20(16)19)24-17-9-11-18(12-10-17)26-14-2-1-3-15-26/h4-13H,1-3,14-15H2,(H,24,27)(H,25,28)
InChIKeyVFGSWJXPZBMDKP-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.80
Rot. Bonds3

About N-(4-piperidin-1-ylphenyl)-N'-quinolin-8-yloxamide

N-(4-piperidin-1-ylphenyl)-N'-quinolin-8-yloxamide (PubChem CID 108527715) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-(4-piperidin-1-ylphenyl)-N'-quinolin-8-yloxamide.

Molecular Properties

Compound NameN-(4-piperidin-1-ylphenyl)-N'-quinolin-8-yloxamide
PubChem CID108527715
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-(4-piperidin-1-ylphenyl)-N'-quinolin-8-yloxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C22H22N4O2/c27-21(22(28)25-19-8-4-6-16-7-5-13-23-20(16)19)24-17-9-11-18(12-10-17)26-14-2-1-3-15-26/h4-13H,1-3,14-15H2,(H,24,27)(H,25,28)
InChIKeyVFGSWJXPZBMDKP-UHFFFAOYSA-N
XLogP3.80
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-piperidin-1-ylanilino)-N-quinolin-8-ylacetamide
CID 109010517
4-(azepan-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109218708
5-(azepan-1-yl)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109241399
methanol;4-pyrrolidin-1-yl-N-quinolin-8-ylpyridine-2-carboxamide
CID 177001630
6-(azepan-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide
CID 84573850
N'-(2,3-dimethylphenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108986873
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(quinolin-8-ylamino)acetamide
CID 109010669
6-N-(4-pyrrolidin-1-ylphenyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112866920
N'-(2-methyl-3-pyridinyl)-N-(3-piperidin-1-ylphenyl)oxamide
CID 99585219
4-[4-(dimethylamino)phenyl]-N-quinolin-8-ylpiperazine-1-carboxamide
CID 113114415
N-quinolin-8-ylcyclohexanecarboxamide
CID 835933
N'-pyridin-2-yl-N-quinolin-8-yloxamide
CID 108525948

Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-1-ylphenyl)-N'-quinolin-8-yloxamide?
The IUPAC name of N-(4-piperidin-1-ylphenyl)-N'-quinolin-8-yloxamide (CID 108527715) is N-(4-piperidin-1-ylphenyl)-N'-quinolin-8-yloxamide.
What is the SMILES notation for N-(4-piperidin-1-ylphenyl)-N'-quinolin-8-yloxamide?
The canonical SMILES for N-(4-piperidin-1-ylphenyl)-N'-quinolin-8-yloxamide is O=C(Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1cccc2cccnc12.
What is the InChIKey of N-(4-piperidin-1-ylphenyl)-N'-quinolin-8-yloxamide?
The InChIKey is VFGSWJXPZBMDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c27-21(22(28)25-19-8-4-6-16-7-5-13-23-20(16)19)24-17-9-11-18(12-10-17)26-14-2-1-3-15-26/h4-13H,1-3,14-15H2,(H,24,27)(H,25,28).
What are the key properties of N-(4-piperidin-1-ylphenyl)-N'-quinolin-8-yloxamide?
N-(4-piperidin-1-ylphenyl)-N'-quinolin-8-yloxamide has a molecular weight of 374.44 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-1-ylphenyl)-N'-quinolin-8-yloxamide is sourced from PubChem (CID 108527715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).