methyl 3-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]propanoate

C22H26N2O4 — CID 57459436

IUPACmethyl 3-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]propanoate
SMILESCOC(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C22H26N2O4/c1-27-21(25)13-16-24-14-11-18(12-15-24)28-22(26)23-20-10-6-5-9-19(20)17-7-3-2-4-8-17/h2-10,18H,11-16H2,1H3,(H,23,26)
InChIKeyXEYFJYPAALPIGC-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.93
Rot. Bonds6

About methyl 3-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]propanoate

methyl 3-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]propanoate (PubChem CID 57459436) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is methyl 3-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]propanoate
PubChem CID57459436
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Namemethyl 3-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]propanoate
SMILESCOC(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C22H26N2O4/c1-27-21(25)13-16-24-14-11-18(12-15-24)28-22(26)23-20-10-6-5-9-19(20)17-7-3-2-4-8-17/h2-10,18H,11-16H2,1H3,(H,23,26)
InChIKeyXEYFJYPAALPIGC-UHFFFAOYSA-N
XLogP3.93
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(9-hydroxynonyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 20624951
(1-butylpiperidin-4-yl) N-(2-phenylphenyl)carbamate;ethane;nonane
CID 158840532
(1-methylpiperidin-4-yl) N-(2-phenylphenyl)carbamate
CID 53318454
methyl 2-[4-[[2-oxo-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]butyl]amino]phenyl]acetate
CID 66781823
[1-(3-aminopropyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 53325336
[1-[8-(1,3-dioxoisoindol-2-yl)octyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 59838143
[1-(2-oxoethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 89290632
[1-[7-[ethyl(methyl)amino]heptyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 20624927
[1-[3-(4-ethyl-N-methylanilino)-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 126602539
[1-[2-[benzhydryl(methyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 20624858
(1-phosphanylpiperidin-4-yl) N-(2-phenylphenyl)carbamate
CID 143572443
benzyl N-methyl-N-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]carbamate
CID 58058123

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]propanoate?
The IUPAC name of methyl 3-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]propanoate (CID 57459436) is methyl 3-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]propanoate?
The canonical SMILES for methyl 3-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]propanoate is COC(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.
What is the InChIKey of methyl 3-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]propanoate?
The InChIKey is XEYFJYPAALPIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-27-21(25)13-16-24-14-11-18(12-15-24)28-22(26)23-20-10-6-5-9-19(20)17-7-3-2-4-8-17/h2-10,18H,11-16H2,1H3,(H,23,26).
What are the key properties of methyl 3-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]propanoate?
methyl 3-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]propanoate has a molecular weight of 382.46 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]propanoate is sourced from PubChem (CID 57459436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).