benzyl 2-[[1-[2-(difluoromethoxy)benzoyl]piperidine-3-carbonyl]amino]acetate

C23H24F2N2O5 — CID 55638063

IUPACbenzyl 2-[[1-[2-(difluoromethoxy)benzoyl]piperidine-3-carbonyl]amino]acetate
SMILESO=C(CNC(=O)C1CCCN(C(=O)c2ccccc2OC(F)F)C1)OCc1ccccc1
InChIInChI=1S/C23H24F2N2O5/c24-23(25)32-19-11-5-4-10-18(19)22(30)27-12-6-9-17(14-27)21(29)26-13-20(28)31-15-16-7-2-1-3-8-16/h1-5,7-8,10-11,17,23H,6,9,12-15H2,(H,26,29)
InChIKeyILRBVSWWMQTWIV-UHFFFAOYSA-N
MW446.45 g/mol
LogP3.00
Rot. Bonds8

About benzyl 2-[[1-[2-(difluoromethoxy)benzoyl]piperidine-3-carbonyl]amino]acetate

benzyl 2-[[1-[2-(difluoromethoxy)benzoyl]piperidine-3-carbonyl]amino]acetate (PubChem CID 55638063) has the molecular formula C23H24F2N2O5 and a molecular weight of 446.45 g/mol. Its IUPAC name is benzyl 2-[[1-[2-(difluoromethoxy)benzoyl]piperidine-3-carbonyl]amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[[1-[2-(difluoromethoxy)benzoyl]piperidine-3-carbonyl]amino]acetate
PubChem CID55638063
Molecular FormulaC23H24F2N2O5
Molecular Weight446.45 g/mol
Exact Mass446.17
IUPAC Namebenzyl 2-[[1-[2-(difluoromethoxy)benzoyl]piperidine-3-carbonyl]amino]acetate
SMILESO=C(CNC(=O)C1CCCN(C(=O)c2ccccc2OC(F)F)C1)OCc1ccccc1
InChIInChI=1S/C23H24F2N2O5/c24-23(25)32-19-11-5-4-10-18(19)22(30)27-12-6-9-17(14-27)21(29)26-13-20(28)31-15-16-7-2-1-3-8-16/h1-5,7-8,10-11,17,23H,6,9,12-15H2,(H,26,29)
InChIKeyILRBVSWWMQTWIV-UHFFFAOYSA-N
XLogP3.00
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.45
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(difluoromethoxy)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 55637901
N-(2-amino-2-methylpropyl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide;hydrochloride
CID 119626021
N-(3-aminopropyl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide
CID 119405060
1-[2-(difluoromethoxy)benzoyl]-N-methoxypiperidine-3-carboxamide
CID 46416186
1-[2-(difluoromethoxy)benzoyl]-N-(2-methoxy-2-phenylethyl)piperidine-3-carboxamide
CID 60543823
1-[2-(difluoromethoxy)benzoyl]-N-[2-(3,5-difluorophenyl)ethyl]piperidine-3-carboxamide
CID 60610187
1-[2-(difluoromethoxy)benzoyl]-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide
CID 60611629
[2-(aminomethyl)piperidin-1-yl]-[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]methanone;hydrochloride
CID 119466370
1-[2-(difluoromethoxy)benzoyl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 55640170
[(3R)-3-aminopyrrolidin-1-yl]-[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]methanone
CID 119409468
1-[3-[4-[2-(difluoromethoxy)benzoyl]piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone
CID 55608451
(3-nitrophenyl)methyl 1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxylate
CID 55642251

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[1-[2-(difluoromethoxy)benzoyl]piperidine-3-carbonyl]amino]acetate?
The IUPAC name of benzyl 2-[[1-[2-(difluoromethoxy)benzoyl]piperidine-3-carbonyl]amino]acetate (CID 55638063) is benzyl 2-[[1-[2-(difluoromethoxy)benzoyl]piperidine-3-carbonyl]amino]acetate.
What is the SMILES notation for benzyl 2-[[1-[2-(difluoromethoxy)benzoyl]piperidine-3-carbonyl]amino]acetate?
The canonical SMILES for benzyl 2-[[1-[2-(difluoromethoxy)benzoyl]piperidine-3-carbonyl]amino]acetate is O=C(CNC(=O)C1CCCN(C(=O)c2ccccc2OC(F)F)C1)OCc1ccccc1.
What is the InChIKey of benzyl 2-[[1-[2-(difluoromethoxy)benzoyl]piperidine-3-carbonyl]amino]acetate?
The InChIKey is ILRBVSWWMQTWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N2O5/c24-23(25)32-19-11-5-4-10-18(19)22(30)27-12-6-9-17(14-27)21(29)26-13-20(28)31-15-16-7-2-1-3-8-16/h1-5,7-8,10-11,17,23H,6,9,12-15H2,(H,26,29).
What are the key properties of benzyl 2-[[1-[2-(difluoromethoxy)benzoyl]piperidine-3-carbonyl]amino]acetate?
benzyl 2-[[1-[2-(difluoromethoxy)benzoyl]piperidine-3-carbonyl]amino]acetate has a molecular weight of 446.45 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[1-[2-(difluoromethoxy)benzoyl]piperidine-3-carbonyl]amino]acetate is sourced from PubChem (CID 55638063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).