N-[3-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]propyl]propanamide

C24H35N3O2 — CID 25265646

IUPACN-[3-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]propyl]propanamide
SMILESCCCCc1cc(OC2CCN(CCCNC(=O)CC)CC2)c2ncccc2c1
InChIInChI=1S/C24H35N3O2/c1-3-5-8-19-17-20-9-6-12-26-24(20)22(18-19)29-21-10-15-27(16-11-21)14-7-13-25-23(28)4-2/h6,9,12,17-18,21H,3-5,7-8,10-11,13-16H2,1-2H3,(H,25,28)
InChIKeyXOMSVKKUEXIIOY-UHFFFAOYSA-N
MW397.56 g/mol
LogP4.34
Rot. Bonds10

About N-[3-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]propyl]propanamide

N-[3-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]propyl]propanamide (PubChem CID 25265646) has the molecular formula C24H35N3O2 and a molecular weight of 397.56 g/mol. Its IUPAC name is N-[3-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]propyl]propanamide.

Molecular Properties

Compound NameN-[3-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]propyl]propanamide
PubChem CID25265646
Molecular FormulaC24H35N3O2
Molecular Weight397.56 g/mol
Exact Mass397.27
IUPAC NameN-[3-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]propyl]propanamide
SMILESCCCCc1cc(OC2CCN(CCCNC(=O)CC)CC2)c2ncccc2c1
InChIInChI=1S/C24H35N3O2/c1-3-5-8-19-17-20-9-6-12-26-24(20)22(18-19)29-21-10-15-27(16-11-21)14-7-13-25-23(28)4-2/h6,9,12,17-18,21H,3-5,7-8,10-11,13-16H2,1-2H3,(H,25,28)
InChIKeyXOMSVKKUEXIIOY-UHFFFAOYSA-N
XLogP4.34
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.56
LogP ≤ 54.34
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

N-[3-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]propyl]-2-methylpropanamide
CID 25265214
N-tert-butyl-4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]butanamide
CID 25263959
N-[2-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]ethyl]cyclohexanecarboxamide
CID 25265356
1-[4-[2-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]ethyl]piperidin-1-yl]propan-1-one;hydrochloride
CID 131739801
6-butyl-8-[1-(2-tert-butylsulfonylethyl)piperidin-4-yl]oxyquinoline;dihydrochloride
CID 131728650
N-tert-butyl-4-[[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]methyl]cyclohexane-1-carboxamide
CID 25264924
2-methylpropyl 4-(6-hexylquinolin-8-yl)oxypiperidine-1-carboxylate
CID 68732155
(3R)-1-tert-butyl-3-(6-butylquinolin-8-yl)oxypyrrolidin-1-ium-1-carboxylic acid
CID 68729880
6-(2-phenylethyl)-8-piperidin-4-yloxyquinoline
CID 68788537
6-butylquinolin-8-ol
CID 130033187
(3R)-N-ethyl-3-quinolin-8-yloxypyrrolidine-1-carboxamide
CID 124863649
8-[1-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]piperidin-4-yl]oxyquinoline
CID 46870849

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]propyl]propanamide?
The IUPAC name of N-[3-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]propyl]propanamide (CID 25265646) is N-[3-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]propyl]propanamide.
What is the SMILES notation for N-[3-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]propyl]propanamide?
The canonical SMILES for N-[3-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]propyl]propanamide is CCCCc1cc(OC2CCN(CCCNC(=O)CC)CC2)c2ncccc2c1.
What is the InChIKey of N-[3-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]propyl]propanamide?
The InChIKey is XOMSVKKUEXIIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O2/c1-3-5-8-19-17-20-9-6-12-26-24(20)22(18-19)29-21-10-15-27(16-11-21)14-7-13-25-23(28)4-2/h6,9,12,17-18,21H,3-5,7-8,10-11,13-16H2,1-2H3,(H,25,28).
What are the key properties of N-[3-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]propyl]propanamide?
N-[3-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]propyl]propanamide has a molecular weight of 397.56 g/mol, XLogP of 4.34, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]propyl]propanamide is sourced from PubChem (CID 25265646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).