methyl 2-[4-[[2-oxo-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]butyl]amino]phenyl]acetate

C31H35N3O5 — CID 66781823

IUPACmethyl 2-[4-[[2-oxo-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]butyl]amino]phenyl]acetate
SMILESCOC(=O)Cc1ccc(NCC(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)cc1
InChIInChI=1S/C31H35N3O5/c1-38-30(36)21-23-11-13-25(14-12-23)32-22-26(35)15-18-34-19-16-27(17-20-34)39-31(37)33-29-10-6-5-9-28(29)24-7-3-2-4-8-24/h2-14,27,32H,15-22H2,1H3,(H,33,37)
InChIKeyHMIFNFVOKVVEOX-UHFFFAOYSA-N
MW529.64 g/mol
LogP5.15
Rot. Bonds11

About methyl 2-[4-[[2-oxo-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]butyl]amino]phenyl]acetate

methyl 2-[4-[[2-oxo-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]butyl]amino]phenyl]acetate (PubChem CID 66781823) has the molecular formula C31H35N3O5 and a molecular weight of 529.64 g/mol. Its IUPAC name is methyl 2-[4-[[2-oxo-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]butyl]amino]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[2-oxo-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]butyl]amino]phenyl]acetate
PubChem CID66781823
Molecular FormulaC31H35N3O5
Molecular Weight529.64 g/mol
Exact Mass529.26
IUPAC Namemethyl 2-[4-[[2-oxo-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]butyl]amino]phenyl]acetate
SMILESCOC(=O)Cc1ccc(NCC(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)cc1
InChIInChI=1S/C31H35N3O5/c1-38-30(36)21-23-11-13-25(14-12-23)32-22-26(35)15-18-34-19-16-27(17-20-34)39-31(37)33-29-10-6-5-9-28(29)24-7-3-2-4-8-24/h2-14,27,32H,15-22H2,1H3,(H,33,37)
InChIKeyHMIFNFVOKVVEOX-UHFFFAOYSA-N
XLogP5.15
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.64
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-[4-[[2-oxo-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]butyl]amino]phenyl]acetate with MolForge

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Related Compounds

methyl 3-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]propanoate
CID 57459436
[1-[3-oxo-3-[4-[(sulfonylamino)methyl]anilino]propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 87136699
methyl 2-[4-[4-[4-[(2-thiophen-3-ylphenyl)carbamoyloxy]piperidin-1-yl]butyl]phenyl]acetate
CID 91290302
[1-(9-hydroxynonyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 20624951
[1-[2-[6-[4-[5-[(2-methoxyacetyl)-methylamino]-2-oxopentyl]anilino]hexanoyl-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 158370487
[1-[3-(4-ethyl-N-methylanilino)-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 126602539
(1-butylpiperidin-4-yl) N-(2-phenylphenyl)carbamate;ethane;nonane
CID 158840532
(1-methylpiperidin-4-yl) N-(2-phenylphenyl)carbamate
CID 53318454
[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-[3-[4-[[(2-fluorophenyl)sulfonylamino]methyl]anilino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 15984594
[1-[3-oxo-3-[4-[[4-(propylcarbamoyl)piperidin-1-yl]methyl]anilino]propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 11250610

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[2-oxo-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]butyl]amino]phenyl]acetate?
The IUPAC name of methyl 2-[4-[[2-oxo-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]butyl]amino]phenyl]acetate (CID 66781823) is methyl 2-[4-[[2-oxo-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]butyl]amino]phenyl]acetate.
What is the SMILES notation for methyl 2-[4-[[2-oxo-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]butyl]amino]phenyl]acetate?
The canonical SMILES for methyl 2-[4-[[2-oxo-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]butyl]amino]phenyl]acetate is COC(=O)Cc1ccc(NCC(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)cc1.
What is the InChIKey of methyl 2-[4-[[2-oxo-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]butyl]amino]phenyl]acetate?
The InChIKey is HMIFNFVOKVVEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N3O5/c1-38-30(36)21-23-11-13-25(14-12-23)32-22-26(35)15-18-34-19-16-27(17-20-34)39-31(37)33-29-10-6-5-9-28(29)24-7-3-2-4-8-24/h2-14,27,32H,15-22H2,1H3,(H,33,37).
What are the key properties of methyl 2-[4-[[2-oxo-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]butyl]amino]phenyl]acetate?
methyl 2-[4-[[2-oxo-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]butyl]amino]phenyl]acetate has a molecular weight of 529.64 g/mol, XLogP of 5.15, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[2-oxo-4-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]butyl]amino]phenyl]acetate is sourced from PubChem (CID 66781823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).