1-[4-[2-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]ethyl]piperidin-1-yl]propan-1-one;hydrochloride

C28H42ClN3O2 — CID 131739801

IUPAC1-[4-[2-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]ethyl]piperidin-1-yl]propan-1-one;hydrochloride
SMILESCCCCc1cc(OC2CCN(CCC3CCN(C(=O)CC)CC3)CC2)c2ncccc2c1.Cl
InChIInChI=1S/C28H41N3O2.ClH/c1-3-5-7-23-20-24-8-6-14-29-28(24)26(21-23)33-25-12-16-30(17-13-25)15-9-22-10-18-31(19-11-22)27(32)4-2;/h6,8,14,20-22,25H,3-5,7,9-13,15-19H2,1-2H3;1H
InChIKeyMLXYACQEXICSTD-UHFFFAOYSA-N
MW488.12 g/mol
LogP5.88
Rot. Bonds9

About 1-[4-[2-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]ethyl]piperidin-1-yl]propan-1-one;hydrochloride

1-[4-[2-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]ethyl]piperidin-1-yl]propan-1-one;hydrochloride (PubChem CID 131739801) has the molecular formula C28H42ClN3O2 and a molecular weight of 488.12 g/mol. Its IUPAC name is 1-[4-[2-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]ethyl]piperidin-1-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[4-[2-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]ethyl]piperidin-1-yl]propan-1-one;hydrochloride
PubChem CID131739801
Molecular FormulaC28H42ClN3O2
Molecular Weight488.12 g/mol
Exact Mass487.30
IUPAC Name1-[4-[2-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]ethyl]piperidin-1-yl]propan-1-one;hydrochloride
SMILESCCCCc1cc(OC2CCN(CCC3CCN(C(=O)CC)CC3)CC2)c2ncccc2c1.Cl
InChIInChI=1S/C28H41N3O2.ClH/c1-3-5-7-23-20-24-8-6-14-29-28(24)26(21-23)33-25-12-16-30(17-13-25)15-9-22-10-18-31(19-11-22)27(32)4-2;/h6,8,14,20-22,25H,3-5,7,9-13,15-19H2,1-2H3;1H
InChIKeyMLXYACQEXICSTD-UHFFFAOYSA-N
XLogP5.88
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.12
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[2-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]ethyl]piperidin-1-yl]propan-1-one;hydrochloride with MolForge

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Related Compounds

N-tert-butyl-4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]butanamide
CID 25263959
N-[3-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]propyl]propanamide
CID 25265646
tert-butyl-[5-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]pentyl]carbamic acid
CID 66921929
6-butyl-8-[1-(2-tert-butylsulfonylethyl)piperidin-4-yl]oxyquinoline;dihydrochloride
CID 131728650
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]methyl]cyclohexane-1-carboxamide
CID 25264924
N-[2-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]ethyl]cyclohexanecarboxamide
CID 25265356
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
7-[4-(1-propanoylpiperidin-4-yl)oxyphenyl]quinoline-8-carboxylic acid
CID 142800445
1-[4-[2-fluoro-4-(6-methylquinolin-7-yl)phenoxy]piperidin-1-yl]propan-1-one
CID 155010909
6-(2-phenylethyl)-8-piperidin-4-yloxyquinoline
CID 68788537

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]ethyl]piperidin-1-yl]propan-1-one;hydrochloride?
The IUPAC name of 1-[4-[2-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]ethyl]piperidin-1-yl]propan-1-one;hydrochloride (CID 131739801) is 1-[4-[2-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]ethyl]piperidin-1-yl]propan-1-one;hydrochloride.
What is the SMILES notation for 1-[4-[2-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]ethyl]piperidin-1-yl]propan-1-one;hydrochloride?
The canonical SMILES for 1-[4-[2-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]ethyl]piperidin-1-yl]propan-1-one;hydrochloride is CCCCc1cc(OC2CCN(CCC3CCN(C(=O)CC)CC3)CC2)c2ncccc2c1.Cl.
What is the InChIKey of 1-[4-[2-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]ethyl]piperidin-1-yl]propan-1-one;hydrochloride?
The InChIKey is MLXYACQEXICSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N3O2.ClH/c1-3-5-7-23-20-24-8-6-14-29-28(24)26(21-23)33-25-12-16-30(17-13-25)15-9-22-10-18-31(19-11-22)27(32)4-2;/h6,8,14,20-22,25H,3-5,7,9-13,15-19H2,1-2H3;1H.
What are the key properties of 1-[4-[2-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]ethyl]piperidin-1-yl]propan-1-one;hydrochloride?
1-[4-[2-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]ethyl]piperidin-1-yl]propan-1-one;hydrochloride has a molecular weight of 488.12 g/mol, XLogP of 5.88, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]ethyl]piperidin-1-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 131739801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).