N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-(4-piperidin-1-ylphenyl)acetamide

C24H29N3O2 — CID 113177148

IUPACN-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCC(=O)N(CC(=O)N1CCCc2ccccc21)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C24H29N3O2/c1-19(28)27(22-13-11-21(12-14-22)25-15-5-2-6-16-25)18-24(29)26-17-7-9-20-8-3-4-10-23(20)26/h3-4,8,10-14H,2,5-7,9,15-18H2,1H3
InChIKeyBKSZNOURSKEWSN-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.01
Rot. Bonds4

About N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-(4-piperidin-1-ylphenyl)acetamide

N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-(4-piperidin-1-ylphenyl)acetamide (PubChem CID 113177148) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-(4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-(4-piperidin-1-ylphenyl)acetamide
PubChem CID113177148
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC NameN-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCC(=O)N(CC(=O)N1CCCc2ccccc21)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C24H29N3O2/c1-19(28)27(22-13-11-21(12-14-22)25-15-5-2-6-16-25)18-24(29)26-17-7-9-20-8-3-4-10-23(20)26/h3-4,8,10-14H,2,5-7,9,15-18H2,1H3
InChIKeyBKSZNOURSKEWSN-UHFFFAOYSA-N
XLogP4.01
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-piperidin-1-ylanilino)ethanone
CID 109007340
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-(2,4-dimethylphenyl)acetamide
CID 113167942
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113176972
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 1443725
N-(1,3-benzodioxol-5-yl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide
CID 113178299
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-propylacetamide
CID 113157998
2-[cyclohexyl(methyl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 54817931
N-butan-2-yl-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]acetamide
CID 113159104
2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-ethyl-N-phenylacetamide
CID 113177031
N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 113129882
N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-(3,5-dimethylphenyl)acetamide
CID 113124722
N-(1,3-benzodioxol-5-yl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
CID 113132893

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-(4-piperidin-1-ylphenyl)acetamide?
The IUPAC name of N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-(4-piperidin-1-ylphenyl)acetamide (CID 113177148) is N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-(4-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-(4-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-(4-piperidin-1-ylphenyl)acetamide is CC(=O)N(CC(=O)N1CCCc2ccccc21)c1ccc(N2CCCCC2)cc1.
What is the InChIKey of N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-(4-piperidin-1-ylphenyl)acetamide?
The InChIKey is BKSZNOURSKEWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-19(28)27(22-13-11-21(12-14-22)25-15-5-2-6-16-25)18-24(29)26-17-7-9-20-8-3-4-10-23(20)26/h3-4,8,10-14H,2,5-7,9,15-18H2,1H3.
What are the key properties of N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-(4-piperidin-1-ylphenyl)acetamide?
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-(4-piperidin-1-ylphenyl)acetamide has a molecular weight of 391.52 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-(4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 113177148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).