benzyl 4-[[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenoxy]methyl]piperidine-1-carboxylate

C30H32N2O4 — CID 143124408

IUPACbenzyl 4-[[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenoxy]methyl]piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(COc2ccc(C(=O)N3CCCc4ccccc43)cc2)CC1
InChIInChI=1S/C30H32N2O4/c33-29(32-18-6-10-25-9-4-5-11-28(25)32)26-12-14-27(15-13-26)35-21-24-16-19-31(20-17-24)30(34)36-22-23-7-2-1-3-8-23/h1-5,7-9,11-15,24H,6,10,16-22H2
InChIKeyKLXDEZZMHSMORI-UHFFFAOYSA-N
MW484.60 g/mol
LogP5.71
Rot. Bonds6

About benzyl 4-[[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenoxy]methyl]piperidine-1-carboxylate

benzyl 4-[[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenoxy]methyl]piperidine-1-carboxylate (PubChem CID 143124408) has the molecular formula C30H32N2O4 and a molecular weight of 484.60 g/mol. Its IUPAC name is benzyl 4-[[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenoxy]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenoxy]methyl]piperidine-1-carboxylate
PubChem CID143124408
Molecular FormulaC30H32N2O4
Molecular Weight484.60 g/mol
Exact Mass484.24
IUPAC Namebenzyl 4-[[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenoxy]methyl]piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(COc2ccc(C(=O)N3CCCc4ccccc43)cc2)CC1
InChIInChI=1S/C30H32N2O4/c33-29(32-18-6-10-25-9-4-5-11-28(25)32)26-12-14-27(15-13-26)35-21-24-16-19-31(20-17-24)30(34)36-22-23-7-2-1-3-8-23/h1-5,7-9,11-15,24H,6,10,16-22H2
InChIKeyKLXDEZZMHSMORI-UHFFFAOYSA-N
XLogP5.71
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze benzyl 4-[[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenoxy]methyl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 7-[(1-phenylmethoxycarbonylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 11248636
benzyl 4-(2-aminoethyl)piperidine-1-carboxylate
CID 22405759
benzyl 4-[2-(2-cyclohexylethyldisulfanyl)ethyl]piperidine-1-carboxylate
CID 167631664
benzyl 4-(3-aminosulfanyl-3-oxopropyl)piperidine-1-carboxylate
CID 18969275
(4-aminophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 2984117
benzyl 4-(2-chloroethyl)piperidine-1-carboxylate
CID 71646574
[4-(4-benzylanilino)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 171678806
benzyl 4-[(5-acetyl-2-methoxyphenoxy)methyl]piperidine-1-carboxylate
CID 166624647
benzyl 4-(3-oxo-3-phenylpropyl)piperidine-1-carboxylate
CID 18187454
benzyl 4-[(cyclohexylamino)methyl]piperidine-1-carboxylate
CID 170459943
2-[(1-phenylmethoxycarbonylpiperidin-4-yl)methoxy]ethyliminoazanide
CID 165383584
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenoxy]methyl]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenoxy]methyl]piperidine-1-carboxylate (CID 143124408) is benzyl 4-[[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenoxy]methyl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenoxy]methyl]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenoxy]methyl]piperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC(COc2ccc(C(=O)N3CCCc4ccccc43)cc2)CC1.
What is the InChIKey of benzyl 4-[[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenoxy]methyl]piperidine-1-carboxylate?
The InChIKey is KLXDEZZMHSMORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O4/c33-29(32-18-6-10-25-9-4-5-11-28(25)32)26-12-14-27(15-13-26)35-21-24-16-19-31(20-17-24)30(34)36-22-23-7-2-1-3-8-23/h1-5,7-9,11-15,24H,6,10,16-22H2.
What are the key properties of benzyl 4-[[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenoxy]methyl]piperidine-1-carboxylate?
benzyl 4-[[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenoxy]methyl]piperidine-1-carboxylate has a molecular weight of 484.60 g/mol, XLogP of 5.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenoxy]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 143124408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).