N-[2-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]ethyl]acetamide

C25H29N3O4 — CID 14969551

IUPACN-[2-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]ethyl]acetamide
SMILESCC(=O)NCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1
InChIInChI=1S/C25H29N3O4/c1-18(29)26-14-17-32-22-9-6-20(7-10-22)25(31)27-15-12-21(13-16-27)28-23-5-3-2-4-19(23)8-11-24(28)30/h2-7,9-10,21H,8,11-17H2,1H3,(H,26,29)
InChIKeyNNKANQANGHLHLN-UHFFFAOYSA-N
MW435.52 g/mol
LogP2.79
Rot. Bonds6

About N-[2-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]ethyl]acetamide

N-[2-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]ethyl]acetamide (PubChem CID 14969551) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is N-[2-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]ethyl]acetamide
PubChem CID14969551
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC NameN-[2-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]ethyl]acetamide
SMILESCC(=O)NCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1
InChIInChI=1S/C25H29N3O4/c1-18(29)26-14-17-32-22-9-6-20(7-10-22)25(31)27-15-12-21(13-16-27)28-23-5-3-2-4-19(23)8-11-24(28)30/h2-7,9-10,21H,8,11-17H2,1H3,(H,26,29)
InChIKeyNNKANQANGHLHLN-UHFFFAOYSA-N
XLogP2.79
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-acetamido-N-[3-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]propyl]pentanamide
CID 19031213
2-acetamido-4-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]butanoic acid
CID 15285178
1-[1-[4-[7-(diethylamino)heptoxy]benzoyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one
CID 19030830
benzyl (2R)-2-[3-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]propylcarbamoyl]pyrrolidine-1-carboxylate
CID 70105782
benzyl N-[(2S)-1-oxo-1-[3-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]propylamino]-6-(phenylmethoxycarbonylamino)hexan-2-yl]carbamate
CID 18652637
1-[1-[4-[8-(diethylamino)-7-hydroxyoctoxy]benzoyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one
CID 19031021
1-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
CID 10642420
[3-acetyloxy-5-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenyl] acetate
CID 10694843
4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]benzaldehyde
CID 19030828
1-[1-[4-[5-hydroxy-6-[methyl(2-pyridin-2-ylethyl)amino]hexoxy]benzoyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one
CID 19031205
N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-6-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]hexanamide
CID 70046843
1-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
CID 10621180

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]ethyl]acetamide?
The IUPAC name of N-[2-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]ethyl]acetamide (CID 14969551) is N-[2-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]ethyl]acetamide?
The canonical SMILES for N-[2-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]ethyl]acetamide is CC(=O)NCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1.
What is the InChIKey of N-[2-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]ethyl]acetamide?
The InChIKey is NNKANQANGHLHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-18(29)26-14-17-32-22-9-6-20(7-10-22)25(31)27-15-12-21(13-16-27)28-23-5-3-2-4-19(23)8-11-24(28)30/h2-7,9-10,21H,8,11-17H2,1H3,(H,26,29).
What are the key properties of N-[2-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]ethyl]acetamide?
N-[2-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]ethyl]acetamide has a molecular weight of 435.52 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]ethyl]acetamide is sourced from PubChem (CID 14969551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).