2-methylpropyl 4-(6-hexylquinolin-8-yl)oxypiperidine-1-carboxylate

C25H36N2O3 — CID 68732155

IUPAC2-methylpropyl 4-(6-hexylquinolin-8-yl)oxypiperidine-1-carboxylate
SMILESCCCCCCc1cc(OC2CCN(C(=O)OCC(C)C)CC2)c2ncccc2c1
InChIInChI=1S/C25H36N2O3/c1-4-5-6-7-9-20-16-21-10-8-13-26-24(21)23(17-20)30-22-11-14-27(15-12-22)25(28)29-18-19(2)3/h8,10,13,16-17,19,22H,4-7,9,11-12,14-15,18H2,1-3H3
InChIKeyFMWBVATZLQIWNC-UHFFFAOYSA-N
MW412.57 g/mol
LogP5.99
Rot. Bonds9

About 2-methylpropyl 4-(6-hexylquinolin-8-yl)oxypiperidine-1-carboxylate

2-methylpropyl 4-(6-hexylquinolin-8-yl)oxypiperidine-1-carboxylate (PubChem CID 68732155) has the molecular formula C25H36N2O3 and a molecular weight of 412.57 g/mol. Its IUPAC name is 2-methylpropyl 4-(6-hexylquinolin-8-yl)oxypiperidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-(6-hexylquinolin-8-yl)oxypiperidine-1-carboxylate
PubChem CID68732155
Molecular FormulaC25H36N2O3
Molecular Weight412.57 g/mol
Exact Mass412.27
IUPAC Name2-methylpropyl 4-(6-hexylquinolin-8-yl)oxypiperidine-1-carboxylate
SMILESCCCCCCc1cc(OC2CCN(C(=O)OCC(C)C)CC2)c2ncccc2c1
InChIInChI=1S/C25H36N2O3/c1-4-5-6-7-9-20-16-21-10-8-13-26-24(21)23(17-20)30-22-11-14-27(15-12-22)25(28)29-18-19(2)3/h8,10,13,16-17,19,22H,4-7,9,11-12,14-15,18H2,1-3H3
InChIKeyFMWBVATZLQIWNC-UHFFFAOYSA-N
XLogP5.99
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.57
LogP ≤ 55.99
H-Bond Donors ≤ 50
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-[3-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]propyl]propanamide
CID 25265646
1-[4-[2-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]ethyl]piperidin-1-yl]propan-1-one;hydrochloride
CID 131739801
N-tert-butyl-4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]butanamide
CID 25263959
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-[2-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]ethyl]cyclohexanecarboxamide
CID 25265356
N-tert-butyl-4-[[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]methyl]cyclohexane-1-carboxamide
CID 25264924
(3R)-1-tert-butyl-3-(6-butylquinolin-8-yl)oxypyrrolidin-1-ium-1-carboxylic acid
CID 68729880
2-methylpropyl 4-[(4-carbamoyl-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 145027304
2-methylpropyl 4-(3-fluorophenoxy)piperidine-1-carboxylate
CID 68837389
2-methylpropyl 4-(1H-indol-4-yloxy)piperidine-1-carboxylate
CID 68843107

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-(6-hexylquinolin-8-yl)oxypiperidine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-(6-hexylquinolin-8-yl)oxypiperidine-1-carboxylate (CID 68732155) is 2-methylpropyl 4-(6-hexylquinolin-8-yl)oxypiperidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-(6-hexylquinolin-8-yl)oxypiperidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-(6-hexylquinolin-8-yl)oxypiperidine-1-carboxylate is CCCCCCc1cc(OC2CCN(C(=O)OCC(C)C)CC2)c2ncccc2c1.
What is the InChIKey of 2-methylpropyl 4-(6-hexylquinolin-8-yl)oxypiperidine-1-carboxylate?
The InChIKey is FMWBVATZLQIWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O3/c1-4-5-6-7-9-20-16-21-10-8-13-26-24(21)23(17-20)30-22-11-14-27(15-12-22)25(28)29-18-19(2)3/h8,10,13,16-17,19,22H,4-7,9,11-12,14-15,18H2,1-3H3.
What are the key properties of 2-methylpropyl 4-(6-hexylquinolin-8-yl)oxypiperidine-1-carboxylate?
2-methylpropyl 4-(6-hexylquinolin-8-yl)oxypiperidine-1-carboxylate has a molecular weight of 412.57 g/mol, XLogP of 5.99, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-(6-hexylquinolin-8-yl)oxypiperidine-1-carboxylate is sourced from PubChem (CID 68732155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).