2-(4-piperidin-1-ylanilino)-N-quinolin-8-ylacetamide

C22H24N4O — CID 109010517

IUPAC2-(4-piperidin-1-ylanilino)-N-quinolin-8-ylacetamide
SMILESO=C(CNc1ccc(N2CCCCC2)cc1)Nc1cccc2cccnc12
InChIInChI=1S/C22H24N4O/c27-21(25-20-8-4-6-17-7-5-13-23-22(17)20)16-24-18-9-11-19(12-10-18)26-14-2-1-3-15-26/h4-13,24H,1-3,14-16H2,(H,25,27)
InChIKeySITUDMKJRQGTQR-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.28
Rot. Bonds5

About 2-(4-piperidin-1-ylanilino)-N-quinolin-8-ylacetamide

2-(4-piperidin-1-ylanilino)-N-quinolin-8-ylacetamide (PubChem CID 109010517) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-(4-piperidin-1-ylanilino)-N-quinolin-8-ylacetamide.

Molecular Properties

Compound Name2-(4-piperidin-1-ylanilino)-N-quinolin-8-ylacetamide
PubChem CID109010517
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-(4-piperidin-1-ylanilino)-N-quinolin-8-ylacetamide
SMILESO=C(CNc1ccc(N2CCCCC2)cc1)Nc1cccc2cccnc12
InChIInChI=1S/C22H24N4O/c27-21(25-20-8-4-6-17-7-5-13-23-22(17)20)16-24-18-9-11-19(12-10-18)26-14-2-1-3-15-26/h4-13,24H,1-3,14-16H2,(H,25,27)
InChIKeySITUDMKJRQGTQR-UHFFFAOYSA-N
XLogP4.28
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-piperidin-1-ylphenyl)-N'-quinolin-8-yloxamide
CID 108527715
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(quinolin-8-ylamino)acetamide
CID 109010669
2-(4-ethoxyanilino)-N-quinolin-8-ylacetamide
CID 109009200
N-(2-tert-butylphenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109008236
N-(2-bromophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109010455
N-(2-fluorophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109008370
2-(2-morpholin-4-ylanilino)-N-quinolin-8-ylacetamide
CID 109010597
4-(azepan-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109218708
2-(4-phenylmethoxyanilino)-N-quinolin-8-ylacetamide
CID 109010747
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-piperidin-1-ylanilino)-N-quinolin-8-ylacetamide?
The IUPAC name of 2-(4-piperidin-1-ylanilino)-N-quinolin-8-ylacetamide (CID 109010517) is 2-(4-piperidin-1-ylanilino)-N-quinolin-8-ylacetamide.
What is the SMILES notation for 2-(4-piperidin-1-ylanilino)-N-quinolin-8-ylacetamide?
The canonical SMILES for 2-(4-piperidin-1-ylanilino)-N-quinolin-8-ylacetamide is O=C(CNc1ccc(N2CCCCC2)cc1)Nc1cccc2cccnc12.
What is the InChIKey of 2-(4-piperidin-1-ylanilino)-N-quinolin-8-ylacetamide?
The InChIKey is SITUDMKJRQGTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c27-21(25-20-8-4-6-17-7-5-13-23-22(17)20)16-24-18-9-11-19(12-10-18)26-14-2-1-3-15-26/h4-13,24H,1-3,14-16H2,(H,25,27).
What are the key properties of 2-(4-piperidin-1-ylanilino)-N-quinolin-8-ylacetamide?
2-(4-piperidin-1-ylanilino)-N-quinolin-8-ylacetamide has a molecular weight of 360.46 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-piperidin-1-ylanilino)-N-quinolin-8-ylacetamide is sourced from PubChem (CID 109010517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).