methyl N-[3-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]propyl]carbamate

C26H31N3O5 — CID 14969557

IUPACmethyl N-[3-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]propyl]carbamate
SMILESCOC(=O)NCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1
InChIInChI=1S/C26H31N3O5/c1-33-26(32)27-15-4-18-34-22-10-7-20(8-11-22)25(31)28-16-13-21(14-17-28)29-23-6-3-2-5-19(23)9-12-24(29)30/h2-3,5-8,10-11,21H,4,9,12-18H2,1H3,(H,27,32)
InChIKeyISHBMVDGWKRQFH-UHFFFAOYSA-N
MW465.55 g/mol
LogP3.40
Rot. Bonds7

About methyl N-[3-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]propyl]carbamate

methyl N-[3-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]propyl]carbamate (PubChem CID 14969557) has the molecular formula C26H31N3O5 and a molecular weight of 465.55 g/mol. Its IUPAC name is methyl N-[3-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]propyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]propyl]carbamate
PubChem CID14969557
Molecular FormulaC26H31N3O5
Molecular Weight465.55 g/mol
Exact Mass465.23
IUPAC Namemethyl N-[3-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]propyl]carbamate
SMILESCOC(=O)NCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1
InChIInChI=1S/C26H31N3O5/c1-33-26(32)27-15-4-18-34-22-10-7-20(8-11-22)25(31)28-16-13-21(14-17-28)29-23-6-3-2-5-19(23)9-12-24(29)30/h2-3,5-8,10-11,21H,4,9,12-18H2,1H3,(H,27,32)
InChIKeyISHBMVDGWKRQFH-UHFFFAOYSA-N
XLogP3.40
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]propyl]carbamate?
The IUPAC name of methyl N-[3-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]propyl]carbamate (CID 14969557) is methyl N-[3-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]propyl]carbamate.
What is the SMILES notation for methyl N-[3-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]propyl]carbamate?
The canonical SMILES for methyl N-[3-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]propyl]carbamate is COC(=O)NCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1.
What is the InChIKey of methyl N-[3-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]propyl]carbamate?
The InChIKey is ISHBMVDGWKRQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O5/c1-33-26(32)27-15-4-18-34-22-10-7-20(8-11-22)25(31)28-16-13-21(14-17-28)29-23-6-3-2-5-19(23)9-12-24(29)30/h2-3,5-8,10-11,21H,4,9,12-18H2,1H3,(H,27,32).
What are the key properties of methyl N-[3-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]propyl]carbamate?
methyl N-[3-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]propyl]carbamate has a molecular weight of 465.55 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]propyl]carbamate is sourced from PubChem (CID 14969557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).